[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

C19H23N5O2 — CID 97449621

IUPAC[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)ncn1
InChIInChI=1S/C19H23N5O2/c1-26-17-11-16(21-14-22-17)24-10-6-19(13-24)4-8-23(9-5-19)18(25)15-3-2-7-20-12-15/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3
InChIKeyCSAODMDHRMDTLK-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.01
Rot. Bonds3

About [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (PubChem CID 97449621) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
PubChem CID97449621
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)ncn1
InChIInChI=1S/C19H23N5O2/c1-26-17-11-16(21-14-22-17)24-10-6-19(13-24)4-8-23(9-5-19)18(25)15-3-2-7-20-12-15/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3
InChIKeyCSAODMDHRMDTLK-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone 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 [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (CID 97449621) is [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is COc1cc(N2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)ncn1.
What is the InChIKey of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The InChIKey is CSAODMDHRMDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-17-11-16(21-14-22-17)24-10-6-19(13-24)4-8-23(9-5-19)18(25)15-3-2-7-20-12-15/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3.
What are the key properties of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone has a molecular weight of 353.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97449621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).