5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate

C93H108F2N20O11 — CID 167610787

IUPAC5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.CCOC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.O=c1c(CCC2CCOCC2)c(-c2cccc(F)c2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C26H35N5O4.C25H33N5O4.C22H22FN5O2.C20H18FN5O/c1-17(2)35-26(33)30-13-9-19(10-14-30)23-20(8-7-18-11-15-34-16-12-18)24(32)31(29-23)25-27-21-5-3-4-6-22(21)28-25;1-2-34-25(32)29-13-9-18(10-14-29)22-19(8-7-17-11-15-33-16-12-17)23(31)30(28-22)24-26-20-5-3-4-6-21(20)27-24;23-16-4-1-3-15(13-16)19-17(7-6-14-8-11-30-12-9-14)21(29)28(27-19)22-25-18-5-2-10-24-20(18)26-22;21-14-8-3-12(4-9-14)5-10-15-17(13-6-7-13)25-26(19(15)27)20-23-16-2-1-11-22-18(16)24-20/h3-6,17-19,29H,7-16H2,1-2H3,(H,27,28);3-6,17-18,28H,2,7-16H2,1H3,(H,26,27);1-5,10,13-14,27H,6-9,11-12H2,(H,24,25,26);1-4,8-9,11,13,25H,5-7,10H2,(H,22,23,24)
InChIKeyQGOVXASFCKWXBO-UHFFFAOYSA-N
MW1720.01 g/mol
LogP14.70
Rot. Bonds22

About 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate

5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate (PubChem CID 167610787) has the molecular formula C93H108F2N20O11 and a molecular weight of 1720.01 g/mol. Its IUPAC name is 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
PubChem CID167610787
Molecular FormulaC93H108F2N20O11
Molecular Weight1720.01 g/mol
Exact Mass1718.85
IUPAC Name5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.CCOC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.O=c1c(CCC2CCOCC2)c(-c2cccc(F)c2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C26H35N5O4.C25H33N5O4.C22H22FN5O2.C20H18FN5O/c1-17(2)35-26(33)30-13-9-19(10-14-30)23-20(8-7-18-11-15-34-16-12-18)24(32)31(29-23)25-27-21-5-3-4-6-22(21)28-25;1-2-34-25(32)29-13-9-18(10-14-29)22-19(8-7-17-11-15-33-16-12-17)23(31)30(28-22)24-26-20-5-3-4-6-21(20)27-24;23-16-4-1-3-15(13-16)19-17(7-6-14-8-11-30-12-9-14)21(29)28(27-19)22-25-18-5-2-10-24-20(18)26-22;21-14-8-3-12(4-9-14)5-10-15-17(13-6-7-13)25-26(19(15)27)20-23-16-2-1-11-22-18(16)24-20/h3-6,17-19,29H,7-16H2,1-2H3,(H,27,28);3-6,17-18,28H,2,7-16H2,1H3,(H,26,27);1-5,10,13-14,27H,6-9,11-12H2,(H,24,25,26);1-4,8-9,11,13,25H,5-7,10H2,(H,22,23,24)
InChIKeyQGOVXASFCKWXBO-UHFFFAOYSA-N
XLogP14.70
TPSA378.43 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.01
LogP ≤ 514.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate (CID 167610787) is 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.CCOC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.O=c1c(CCC2CCOCC2)c(-c2cccc(F)c2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1.
What is the InChIKey of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is QGOVXASFCKWXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4.C25H33N5O4.C22H22FN5O2.C20H18FN5O/c1-17(2)35-26(33)30-13-9-19(10-14-30)23-20(8-7-18-11-15-34-16-12-18)24(32)31(29-23)25-27-21-5-3-4-6-22(21)28-25;1-2-34-25(32)29-13-9-18(10-14-29)22-19(8-7-17-11-15-33-16-12-17)23(31)30(28-22)24-26-20-5-3-4-6-21(20)27-24;23-16-4-1-3-15(13-16)19-17(7-6-14-8-11-30-12-9-14)21(29)28(27-19)22-25-18-5-2-10-24-20(18)26-22;21-14-8-3-12(4-9-14)5-10-15-17(13-6-7-13)25-26(19(15)27)20-23-16-2-1-11-22-18(16)24-20/h3-6,17-19,29H,7-16H2,1-2H3,(H,27,28);3-6,17-18,28H,2,7-16H2,1H3,(H,26,27);1-5,10,13-14,27H,6-9,11-12H2,(H,24,25,26);1-4,8-9,11,13,25H,5-7,10H2,(H,22,23,24).
What are the key properties of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate?
5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 1720.01 g/mol, XLogP of 14.70, 22 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one;ethyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;5-(3-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167610787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).