8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C19H27ClN4O2 — CID 149484133

IUPAC8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CCC(O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2
InChIInChI=1S/C19H27ClN4O2/c20-16-11-21-12-17(22-16)23-8-5-19(6-9-23)7-10-24(18(19)26)13-14-1-3-15(25)4-2-14/h11-12,14-15,25H,1-10,13H2
InChIKeyZDVJOHQYVQZJQX-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.50
Rot. Bonds3

About 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 149484133) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID149484133
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CCC(O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2
InChIInChI=1S/C19H27ClN4O2/c20-16-11-21-12-17(22-16)23-8-5-19(6-9-23)7-10-24(18(19)26)13-14-1-3-15(25)4-2-14/h11-12,14-15,25H,1-10,13H2
InChIKeyZDVJOHQYVQZJQX-UHFFFAOYSA-N
XLogP2.50
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-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-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 149484133) is 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(CC2CCC(O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2.
What is the InChIKey of 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZDVJOHQYVQZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c20-16-11-21-12-17(22-16)23-8-5-19(6-9-23)7-10-24(18(19)26)13-14-1-3-15(25)4-2-14/h11-12,14-15,25H,1-10,13H2.
What are the key properties of 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 378.90 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 149484133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).