1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C177H181F14N23O25 — CID 157165151

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cnc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2n1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ncc2[nH]1.CC(C)(C)c1cc2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ncc3[nH]2)CC1.CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2[nH]1.O=C(Nc1cc2cc(C3CCC3)[nH]c2cn1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H25F2N3O4.2C22H19F2N3O3.3C22H21F2N3O3.C22H23N3O3.C21H18F2N2O3.7H2/c1-22(2,3)19-10-14-11-20(27-13-16(14)29(19)8-9-30)28-21(31)23(6-7-23)15-4-5-17-18(12-15)33-24(25,26)32-17;1-20(4-5-20)17-8-12-9-18(25-11-14(12)26-17)27-19(28)21(6-7-21)13-2-3-15-16(10-13)30-22(23,24)29-15;23-22(24)29-17-5-4-14(10-18(17)30-22)21(6-7-21)20(28)27-19-9-13-8-15(12-2-1-3-12)26-16(13)11-25-19;1-20(2,3)17-11-14-13(25-17)5-7-18(26-14)27-19(28)21(8-9-21)12-4-6-15-16(10-12)30-22(23,24)29-15;1-20(2,3)17-8-12-9-18(25-11-14(12)26-17)27-19(28)21(6-7-21)13-4-5-15-16(10-13)30-22(23,24)29-15;1-20(2,3)17-9-12-8-14(11-25-18(12)27-17)26-19(28)21(6-7-21)13-4-5-15-16(10-13)30-22(23,24)29-15;1-21(2,3)18-8-13-9-19(23-11-15(13)24-18)25-20(26)22(6-7-22)14-4-5-16-17(10-14)28-12-27-16;1-2-14-7-12-8-15(24-11-16(12)25-14)10-19(26)20(5-6-20)13-3-4-17-18(9-13)28-21(22,23)27-17;;;;;;;/h4-5,10-13,30H,6-9H2,1-3H3,(H,27,28,31);2-3,8-11,26H,4-7H2,1H3,(H,25,27,28);4-5,8-12,26H,1-3,6-7H2,(H,25,27,28);4-7,10-11,25H,8-9H2,1-3H3,(H,26,27,28);4-5,8-11,26H,6-7H2,1-3H3,(H,25,27,28);4-5,8-11H,6-7H2,1-3H3,(H,25,27)(H,26,28);4-5,8-11,24H,6-7,12H2,1-3H3,(H,23,25,26);3-4,7-9,11,25H,2,5-6,10H2,1H3;7*1H
InChIKeyAMUZVZMWGKBCQH-UHFFFAOYSA-N
MW3296.50 g/mol
LogP38.57
Rot. Bonds30

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157165151) has the molecular formula C177H181F14N23O25 and a molecular weight of 3296.50 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID157165151
Molecular FormulaC177H181F14N23O25
Molecular Weight3296.50 g/mol
Exact Mass3294.34
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cnc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2n1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ncc2[nH]1.CC(C)(C)c1cc2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ncc3[nH]2)CC1.CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2[nH]1.O=C(Nc1cc2cc(C3CCC3)[nH]c2cn1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H25F2N3O4.2C22H19F2N3O3.3C22H21F2N3O3.C22H23N3O3.C21H18F2N2O3.7H2/c1-22(2,3)19-10-14-11-20(27-13-16(14)29(19)8-9-30)28-21(31)23(6-7-23)15-4-5-17-18(12-15)33-24(25,26)32-17;1-20(4-5-20)17-8-12-9-18(25-11-14(12)26-17)27-19(28)21(6-7-21)13-2-3-15-16(10-13)30-22(23,24)29-15;23-22(24)29-17-5-4-14(10-18(17)30-22)21(6-7-21)20(28)27-19-9-13-8-15(12-2-1-3-12)26-16(13)11-25-19;1-20(2,3)17-11-14-13(25-17)5-7-18(26-14)27-19(28)21(8-9-21)12-4-6-15-16(10-12)30-22(23,24)29-15;1-20(2,3)17-8-12-9-18(25-11-14(12)26-17)27-19(28)21(6-7-21)13-4-5-15-16(10-13)30-22(23,24)29-15;1-20(2,3)17-9-12-8-14(11-25-18(12)27-17)26-19(28)21(6-7-21)13-4-5-15-16(10-13)30-22(23,24)29-15;1-21(2,3)18-8-13-9-19(23-11-15(13)24-18)25-20(26)22(6-7-22)14-4-5-16-17(10-14)28-12-27-16;1-2-14-7-12-8-15(24-11-16(12)25-14)10-19(26)20(5-6-20)13-3-4-17-18(9-13)28-21(22,23)27-17;;;;;;;/h4-5,10-13,30H,6-9H2,1-3H3,(H,27,28,31);2-3,8-11,26H,4-7H2,1H3,(H,25,27,28);4-5,8-12,26H,1-3,6-7H2,(H,25,27,28);4-7,10-11,25H,8-9H2,1-3H3,(H,26,27,28);4-5,8-11,26H,6-7H2,1-3H3,(H,25,27,28);4-5,8-11H,6-7H2,1-3H3,(H,25,27)(H,26,28);4-5,8-11,24H,6-7,12H2,1-3H3,(H,23,25,26);3-4,7-9,11,25H,2,5-6,10H2,1H3;7*1H
InChIKeyAMUZVZMWGKBCQH-UHFFFAOYSA-N
XLogP38.57
TPSA607.26 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003296.50
LogP ≤ 538.57
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157165151) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cnc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2n1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ncc2[nH]1.CC(C)(C)c1cc2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ncc3[nH]2)CC1.CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2[nH]1.O=C(Nc1cc2cc(C3CCC3)[nH]c2cn1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is AMUZVZMWGKBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4.2C22H19F2N3O3.3C22H21F2N3O3.C22H23N3O3.C21H18F2N2O3.7H2/c1-22(2,3)19-10-14-11-20(27-13-16(14)29(19)8-9-30)28-21(31)23(6-7-23)15-4-5-17-18(12-15)33-24(25,26)32-17;1-20(4-5-20)17-8-12-9-18(25-11-14(12)26-17)27-19(28)21(6-7-21)13-2-3-15-16(10-13)30-22(23,24)29-15;23-22(24)29-17-5-4-14(10-18(17)30-22)21(6-7-21)20(28)27-19-9-13-8-15(12-2-1-3-12)26-16(13)11-25-19;1-20(2,3)17-11-14-13(25-17)5-7-18(26-14)27-19(28)21(8-9-21)12-4-6-15-16(10-12)30-22(23,24)29-15;1-20(2,3)17-8-12-9-18(25-11-14(12)26-17)27-19(28)21(6-7-21)13-4-5-15-16(10-13)30-22(23,24)29-15;1-20(2,3)17-9-12-8-14(11-25-18(12)27-17)26-19(28)21(6-7-21)13-4-5-15-16(10-13)30-22(23,24)29-15;1-21(2,3)18-8-13-9-19(23-11-15(13)24-18)25-20(26)22(6-7-22)14-4-5-16-17(10-14)28-12-27-16;1-2-14-7-12-8-15(24-11-16(12)25-14)10-19(26)20(5-6-20)13-3-4-17-18(9-13)28-21(22,23)27-17;;;;;;;/h4-5,10-13,30H,6-9H2,1-3H3,(H,27,28,31);2-3,8-11,26H,4-7H2,1H3,(H,25,27,28);4-5,8-12,26H,1-3,6-7H2,(H,25,27,28);4-7,10-11,25H,8-9H2,1-3H3,(H,26,27,28);4-5,8-11,26H,6-7H2,1-3H3,(H,25,27,28);4-5,8-11H,6-7H2,1-3H3,(H,25,27)(H,26,28);4-5,8-11,24H,6-7,12H2,1-3H3,(H,23,25,26);3-4,7-9,11,25H,2,5-6,10H2,1H3;7*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 3296.50 g/mol, XLogP of 38.57, 30 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157165151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).