4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C18H24ClN3OS — CID 167286917

IUPAC4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCS2(CCCCC2)CC1)c1cc2c(Cl)cncc2[nH]1
InChIInChI=1S/C18H24ClN3OS/c19-15-11-20-12-17-14(15)10-16(22-17)18(23)21-13-4-8-24(9-5-13)6-2-1-3-7-24/h10-13,22H,1-9H2,(H,21,23)
InChIKeyNHPSOLRVPXZOGM-UHFFFAOYSA-N
MW365.93 g/mol
LogP4.10
Rot. Bonds2

About 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167286917) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167286917
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCS2(CCCCC2)CC1)c1cc2c(Cl)cncc2[nH]1
InChIInChI=1S/C18H24ClN3OS/c19-15-11-20-12-17-14(15)10-16(22-17)18(23)21-13-4-8-24(9-5-13)6-2-1-3-7-24/h10-13,22H,1-9H2,(H,21,23)
InChIKeyNHPSOLRVPXZOGM-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715455
4-chloro-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175283473
4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44555588
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715348
4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715462
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
CID 71663153
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 72713741
N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167286917) is 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NC1CCS2(CCCCC2)CC1)c1cc2c(Cl)cncc2[nH]1.
What is the InChIKey of 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NHPSOLRVPXZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c19-15-11-20-12-17-14(15)10-16(22-17)18(23)21-13-4-8-24(9-5-13)6-2-1-3-7-24/h10-13,22H,1-9H2,(H,21,23).
What are the key properties of 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 365.93 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6λ4-thiaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167286917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).