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

C30H34ClN7O — CID 171623294

IUPAC4-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
SMILESCn1cnnc1C1(c2cc(C3CC3)nc(-n3cc(Cl)c4cc(CN5CCCCC5)[nH]c4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C30H34ClN7O/c1-36-18-32-35-28(36)30(16-29(17-30)7-8-29)20-11-24(19-5-6-19)34-25(12-20)38-15-23(31)22-13-21(33-26(22)27(38)39)14-37-9-3-2-4-10-37/h11-13,15,18-19,33H,2-10,14,16-17H2,1H3
InChIKeyBVHBUHXDMMGEIO-UHFFFAOYSA-N
MW544.10 g/mol
LogP5.22
Rot. Bonds6

About 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

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 (PubChem CID 171623294) has the molecular formula C30H34ClN7O and a molecular weight of 544.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID171623294
Molecular FormulaC30H34ClN7O
Molecular Weight544.10 g/mol
Exact Mass543.25
IUPAC Name4-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
SMILESCn1cnnc1C1(c2cc(C3CC3)nc(-n3cc(Cl)c4cc(CN5CCCCC5)[nH]c4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C30H34ClN7O/c1-36-18-32-35-28(36)30(16-29(17-30)7-8-29)20-11-24(19-5-6-19)34-25(12-20)38-15-23(31)22-13-21(33-26(22)27(38)39)14-37-9-3-2-4-10-37/h11-13,15,18-19,33H,2-10,14,16-17H2,1H3
InChIKeyBVHBUHXDMMGEIO-UHFFFAOYSA-N
XLogP5.22
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.10
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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US11142525, Example 139
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US11142525, Example 101
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US11142525, Example 94
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US11142525, Example 142
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US11142525, Example 95
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US11142525, Example 69
CID 146593216
US11142525, Example 179
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US11142525, Example 126
CID 146611888

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cnnc1C1(c2cc(C3CC3)nc(-n3cc(Cl)c4cc(CN5CCCCC5)[nH]c4c3=O)c2)CC2(CC2)C1.
What is the InChIKey of 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?
The InChIKey is BVHBUHXDMMGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN7O/c1-36-18-32-35-28(36)30(16-29(17-30)7-8-29)20-11-24(19-5-6-19)34-25(12-20)38-15-23(31)22-13-21(33-26(22)27(38)39)14-37-9-3-2-4-10-37/h11-13,15,18-19,33H,2-10,14,16-17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 544.10 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171623294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).