1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine

C45H52Cl2N8 — CID 159129355

IUPAC1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine
SMILESClc1ccc(-n2cc(C3CCN(C4CCNC4)CC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCN(C4CCNCC4)CC3)c3ccncc32)cc1
InChIInChI=1S/C23H27ClN4.C22H25ClN4/c24-18-1-3-20(4-2-18)28-16-22(21-7-12-26-15-23(21)28)17-8-13-27(14-9-17)19-5-10-25-11-6-19;23-17-1-3-18(4-2-17)27-15-21(20-6-10-25-14-22(20)27)16-7-11-26(12-8-16)19-5-9-24-13-19/h1-4,7,12,15-17,19,25H,5-6,8-11,13-14H2;1-4,6,10,14-16,19,24H,5,7-9,11-13H2
InChIKeyKGRJZVCOVWWJJK-UHFFFAOYSA-N
MW775.87 g/mol
LogP8.83
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine

1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine (PubChem CID 159129355) has the molecular formula C45H52Cl2N8 and a molecular weight of 775.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine
PubChem CID159129355
Molecular FormulaC45H52Cl2N8
Molecular Weight775.87 g/mol
Exact Mass774.37
IUPAC Name1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine
SMILESClc1ccc(-n2cc(C3CCN(C4CCNC4)CC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCN(C4CCNCC4)CC3)c3ccncc32)cc1
InChIInChI=1S/C23H27ClN4.C22H25ClN4/c24-18-1-3-20(4-2-18)28-16-22(21-7-12-26-15-23(21)28)17-8-13-27(14-9-17)19-5-10-25-11-6-19;23-17-1-3-18(4-2-17)27-15-21(20-6-10-25-14-22(20)27)16-7-11-26(12-8-16)19-5-9-24-13-19/h1-4,7,12,15-17,19,25H,5-6,8-11,13-14H2;1-4,6,10,14-16,19,24H,5,7-9,11-13H2
InChIKeyKGRJZVCOVWWJJK-UHFFFAOYSA-N
XLogP8.83
TPSA66.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.87
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

6-chloro-2-[(Z)-4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-enyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578489
6-chloro-2-[6-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)hexyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
CID 44578548
6-chloro-2-[8-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)octyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
CID 44578550
6-chloro-2-[10-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)decyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
CID 44578552
6-chloro-2-[12-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)dodecyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
CID 44578554
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]pentane-1,5-diamine;hydrochloride
CID 134131323
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine;hydrochloride
CID 134138895
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]pentane-1,5-diamine;hydrochloride
CID 134141881
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]hexane-1,6-diamine;hydrochloride
CID 134154047
US9580415, Example 17
CID 86269276
6-chloro-2-[(Z)-4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-enyl]-9H-pyrido[3,4-b]indol-2-ium
CID 44578490
6-chloro-2-[4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-ynyl]-9H-pyrido[3,4-b]indol-2-ium
CID 44578492

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine (CID 159129355) is 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine is Clc1ccc(-n2cc(C3CCN(C4CCNC4)CC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCN(C4CCNCC4)CC3)c3ccncc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is KGRJZVCOVWWJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4.C22H25ClN4/c24-18-1-3-20(4-2-18)28-16-22(21-7-12-26-15-23(21)28)17-8-13-27(14-9-17)19-5-10-25-11-6-19;23-17-1-3-18(4-2-17)27-15-21(20-6-10-25-14-22(20)27)16-7-11-26(12-8-16)19-5-9-24-13-19/h1-4,7,12,15-17,19,25H,5-6,8-11,13-14H2;1-4,6,10,14-16,19,24H,5,7-9,11-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine?
1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 775.87 g/mol, XLogP of 8.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 159129355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).