(3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone

C107H101Cl5F4N26O6 — CID 167704752

IUPAC(3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone
SMILESC=C(N)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.Cc1cnc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cn1.Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.Cc1nccnc1-n1cc(Cl)c2cc(C(=O)N3CCC(F)CC3)cnc21.NC1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(Cl)c2)C1
InChIInChI=1S/C20H21FN4O2.3C18H17ClFN5O.C18H17ClN4O.C15H12ClN3/c1-13-23-18-11-14(20(26)24-9-7-15(21)8-10-24)12-22-19(18)25(13)16-3-5-17(27-2)6-4-16;1-11-16(22-5-4-21-11)25-10-15(19)14-8-12(9-23-17(14)25)18(26)24-6-2-13(20)3-7-24;1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16;1-11-7-22-16(9-21-11)25-10-15(19)14-6-12(8-23-17(14)25)18(26)24-4-2-13(20)3-5-24;19-13-2-1-3-15(9-13)23-11-21-16-8-12(4-5-17(16)23)18(24)22-7-6-14(20)10-22;1-10(17)11-5-6-15-14(7-11)18-9-19(15)13-4-2-3-12(16)8-13/h3-6,11-12,15H,7-10H2,1-2H3;4-5,8-10,13H,2-3,6-7H2,1H3;4-5,8-10,12H,2-3,6-7H2,1H3;6-10,13H,2-5H2,1H3;1-5,8-9,11,14H,6-7,10,20H2;2-9H,1,17H2
InChIKeyYXWMYSLBRLPXSD-UHFFFAOYSA-N
MW2100.42 g/mol
LogP19.83
Rot. Bonds13

About (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone

(3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 167704752) has the molecular formula C107H101Cl5F4N26O6 and a molecular weight of 2100.42 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID167704752
Molecular FormulaC107H101Cl5F4N26O6
Molecular Weight2100.42 g/mol
Exact Mass2096.68
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone
SMILESC=C(N)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.Cc1cnc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cn1.Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.Cc1nccnc1-n1cc(Cl)c2cc(C(=O)N3CCC(F)CC3)cnc21.NC1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(Cl)c2)C1
InChIInChI=1S/C20H21FN4O2.3C18H17ClFN5O.C18H17ClN4O.C15H12ClN3/c1-13-23-18-11-14(20(26)24-9-7-15(21)8-10-24)12-22-19(18)25(13)16-3-5-17(27-2)6-4-16;1-11-16(22-5-4-21-11)25-10-15(19)14-8-12(9-23-17(14)25)18(26)24-6-2-13(20)3-7-24;1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16;1-11-7-22-16(9-21-11)25-10-15(19)14-6-12(8-23-17(14)25)18(26)24-4-2-13(20)3-5-24;19-13-2-1-3-15(9-13)23-11-21-16-8-12(4-5-17(16)23)18(24)22-7-6-14(20)10-22;1-10(17)11-5-6-15-14(7-11)18-9-19(15)13-4-2-3-12(16)8-13/h3-6,11-12,15H,7-10H2,1-2H3;4-5,8-10,13H,2-3,6-7H2,1H3;4-5,8-10,12H,2-3,6-7H2,1H3;6-10,13H,2-5H2,1H3;1-5,8-9,11,14H,6-7,10,20H2;2-9H,1,17H2
InChIKeyYXWMYSLBRLPXSD-UHFFFAOYSA-N
XLogP19.83
TPSA359.97 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.42
LogP ≤ 519.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone (CID 167704752) is (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone is C=C(N)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.Cc1cnc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cn1.Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.Cc1nccnc1-n1cc(Cl)c2cc(C(=O)N3CCC(F)CC3)cnc21.NC1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(Cl)c2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is YXWMYSLBRLPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2.3C18H17ClFN5O.C18H17ClN4O.C15H12ClN3/c1-13-23-18-11-14(20(26)24-9-7-15(21)8-10-24)12-22-19(18)25(13)16-3-5-17(27-2)6-4-16;1-11-16(22-5-4-21-11)25-10-15(19)14-8-12(9-23-17(14)25)18(26)24-6-2-13(20)3-7-24;1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16;1-11-7-22-16(9-21-11)25-10-15(19)14-6-12(8-23-17(14)25)18(26)24-4-2-13(20)3-5-24;19-13-2-1-3-15(9-13)23-11-21-16-8-12(4-5-17(16)23)18(24)22-7-6-14(20)10-22;1-10(17)11-5-6-15-14(7-11)18-9-19(15)13-4-2-3-12(16)8-13/h3-6,11-12,15H,7-10H2,1-2H3;4-5,8-10,13H,2-3,6-7H2,1H3;4-5,8-10,12H,2-3,6-7H2,1H3;6-10,13H,2-5H2,1H3;1-5,8-9,11,14H,6-7,10,20H2;2-9H,1,17H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone?
(3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 2100.42 g/mol, XLogP of 19.83, 13 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine;(4-fluoropiperidin-1-yl)-[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 167704752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).