4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one

C24H29N3O3S — CID 159016416

IUPAC4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
SMILESCC(C)S(=O)(=O)c1cnc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1
InChIInChI=1S/C24H29N3O3S/c1-16(2)31(29,30)17-13-20(21-15-26(3)23(28)19-6-4-5-18(19)21)22(25-14-17)27-11-9-24(7-8-24)10-12-27/h4-5,13-16H,6-12H2,1-3H3
InChIKeyJTDLYLQVNLMXAX-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.58
Rot. Bonds4

About 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one

4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one (PubChem CID 159016416) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
PubChem CID159016416
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
SMILESCC(C)S(=O)(=O)c1cnc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1
InChIInChI=1S/C24H29N3O3S/c1-16(2)31(29,30)17-13-20(21-15-26(3)23(28)19-6-4-5-18(19)21)22(25-14-17)27-11-9-24(7-8-24)10-12-27/h4-5,13-16H,6-12H2,1-3H3
InChIKeyJTDLYLQVNLMXAX-UHFFFAOYSA-N
XLogP3.58
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one (CID 159016416) is 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one is CC(C)S(=O)(=O)c1cnc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1.
What is the InChIKey of 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The InChIKey is JTDLYLQVNLMXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-16(2)31(29,30)17-13-20(21-15-26(3)23(28)19-6-4-5-18(19)21)22(25-14-17)27-11-9-24(7-8-24)10-12-27/h4-5,13-16H,6-12H2,1-3H3.
What are the key properties of 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 439.58 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 159016416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).