8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H23ClN4O — CID 118730676

IUPAC8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3ccncc3)cc1)CC2
InChIInChI=1S/C24H23ClN4O/c25-21-16-27-15-20(19-3-1-17(2-4-19)18-5-10-26-11-6-18)22(21)29-13-8-24(9-14-29)7-12-28-23(24)30/h1-6,10-11,15-16H,7-9,12-14H2,(H,28,30)
InChIKeySRHMTYHBENEJCD-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.57
Rot. Bonds3

About 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730676) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730676
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3ccncc3)cc1)CC2
InChIInChI=1S/C24H23ClN4O/c25-21-16-27-15-20(19-3-1-17(2-4-19)18-5-10-26-11-6-18)22(21)29-13-8-24(9-14-29)7-12-28-23(24)30/h1-6,10-11,15-16H,7-9,12-14H2,(H,28,30)
InChIKeySRHMTYHBENEJCD-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118730676) is 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3ccncc3)cc1)CC2.
What is the InChIKey of 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SRHMTYHBENEJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-21-16-27-15-20(19-3-1-17(2-4-19)18-5-10-26-11-6-18)22(21)29-13-8-24(9-14-29)7-12-28-23(24)30/h1-6,10-11,15-16H,7-9,12-14H2,(H,28,30).
What are the key properties of 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 418.93 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).