4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C27H29ClN6O — CID 171623156

IUPAC4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cnnc1C1(c2cccc(-n3cc(Cl)c4cc(CN5CCCC5)[nH]c4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C27H29ClN6O/c1-32-17-29-31-25(32)27(15-26(16-27)7-8-26)18-5-4-6-20(11-18)34-14-22(28)21-12-19(30-23(21)24(34)35)13-33-9-2-3-10-33/h4-6,11-12,14,17,30H,2-3,7-10,13,15-16H2,1H3
InChIKeyFDHGPXLLNWPPBC-UHFFFAOYSA-N
MW489.02 g/mol
LogP4.56
Rot. Bonds5

About 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171623156) has the molecular formula C27H29ClN6O and a molecular weight of 489.02 g/mol. Its IUPAC name is 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID171623156
Molecular FormulaC27H29ClN6O
Molecular Weight489.02 g/mol
Exact Mass488.21
IUPAC Name4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cnnc1C1(c2cccc(-n3cc(Cl)c4cc(CN5CCCC5)[nH]c4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C27H29ClN6O/c1-32-17-29-31-25(32)27(15-26(16-27)7-8-26)18-5-4-6-20(11-18)34-14-22(28)21-12-19(30-23(21)24(34)35)13-33-9-2-3-10-33/h4-6,11-12,14,17,30H,2-3,7-10,13,15-16H2,1H3
InChIKeyFDHGPXLLNWPPBC-UHFFFAOYSA-N
XLogP4.56
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

6-tert-butyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139360659
4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide
CID 155324591
4-cyclopropyl-6-[3-[3-hydroxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170736829
4-bromo-6-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-[[[(3R)-oxolan-3-yl]amino]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171623173
3,4-dichloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171623230
4-chloro-6-[6-cyclopropyl-4-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]-2-pyridinyl]-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171623294
6-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-[[(1-methylcyclobutyl)amino]methyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234171
2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234192
2-(5-azaspiro[2.5]octan-5-ylmethyl)-6-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234198
4-cyclopropyl-6-[3-[3,3-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234203
6-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234207
2-[[ethyl(2-methylpropyl)amino]methyl]-6-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171623156) is 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cnnc1C1(c2cccc(-n3cc(Cl)c4cc(CN5CCCC5)[nH]c4c3=O)c2)CC2(CC2)C1.
What is the InChIKey of 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FDHGPXLLNWPPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O/c1-32-17-29-31-25(32)27(15-26(16-27)7-8-26)18-5-4-6-20(11-18)34-14-22(28)21-12-19(30-23(21)24(34)35)13-33-9-2-3-10-33/h4-6,11-12,14,17,30H,2-3,7-10,13,15-16H2,1H3.
What are the key properties of 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 489.02 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171623156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).