8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H32N6O2 — CID 92630536

IUPAC8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C24H32N6O2/c1-17-19-10-11-21(31)30(15-18-7-3-2-4-8-18)24(19)27-23(26-17)20-9-5-14-29(20)22(32)16-28-13-6-12-25-28/h6,12-13,18,20H,2-5,7-11,14-16H2,1H3/t20-/m0/s1
InChIKeyXJVMOJWMAUOONH-FQEVSTJZSA-N
MW436.56 g/mol
LogP3.20
Rot. Bonds5

About 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630536) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630536
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C24H32N6O2/c1-17-19-10-11-21(31)30(15-18-7-3-2-4-8-18)24(19)27-23(26-17)20-9-5-14-29(20)22(32)16-28-13-6-12-25-28/h6,12-13,18,20H,2-5,7-11,14-16H2,1H3/t20-/m0/s1
InChIKeyXJVMOJWMAUOONH-FQEVSTJZSA-N
XLogP3.20
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-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-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630536) is 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XJVMOJWMAUOONH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-19-10-11-21(31)30(15-18-7-3-2-4-8-18)24(19)27-23(26-17)20-9-5-14-29(20)22(32)16-28-13-6-12-25-28/h6,12-13,18,20H,2-5,7-11,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 436.56 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).