8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C27H32ClN7O — CID 118564078

IUPAC8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(-c2ccc(-c3cnn(C4CCNCC4)c3)cc2)c(N2CCC3(CCNC3=O)CC2)c1Cl
InChIInChI=1S/C27H32ClN7O/c28-23-24(34-13-8-27(9-14-34)7-12-31-26(27)36)22(16-32-25(23)29)19-3-1-18(2-4-19)20-15-33-35(17-20)21-5-10-30-11-6-21/h1-4,15-17,21,30H,5-14H2,(H2,29,32)(H,31,36)
InChIKeyYDYUMTNRVIWTGI-UHFFFAOYSA-N
MW506.05 g/mol
LogP3.88
Rot. Bonds4

About 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118564078) has the molecular formula C27H32ClN7O and a molecular weight of 506.05 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118564078
Molecular FormulaC27H32ClN7O
Molecular Weight506.05 g/mol
Exact Mass505.24
IUPAC Name8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(-c2ccc(-c3cnn(C4CCNCC4)c3)cc2)c(N2CCC3(CCNC3=O)CC2)c1Cl
InChIInChI=1S/C27H32ClN7O/c28-23-24(34-13-8-27(9-14-34)7-12-31-26(27)36)22(16-32-25(23)29)19-3-1-18(2-4-19)20-15-33-35(17-20)21-5-10-30-11-6-21/h1-4,15-17,21,30H,5-14H2,(H2,29,32)(H,31,36)
InChIKeyYDYUMTNRVIWTGI-UHFFFAOYSA-N
XLogP3.88
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.05
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118564078) is 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Nc1ncc(-c2ccc(-c3cnn(C4CCNCC4)c3)cc2)c(N2CCC3(CCNC3=O)CC2)c1Cl.
What is the InChIKey of 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YDYUMTNRVIWTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN7O/c28-23-24(34-13-8-27(9-14-34)7-12-31-26(27)36)22(16-32-25(23)29)19-3-1-18(2-4-19)20-15-33-35(17-20)21-5-10-30-11-6-21/h1-4,15-17,21,30H,5-14H2,(H2,29,32)(H,31,36).
What are the key properties of 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 506.05 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118564078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).