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

C25H31N5O2 — CID 95838071

IUPAC8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)c2ccncc2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C25H31N5O2/c1-17-20-9-10-22(31)30(16-18-6-3-2-4-7-18)24(20)28-23(27-17)21-8-5-15-29(21)25(32)19-11-13-26-14-12-19/h11-14,18,21H,2-10,15-16H2,1H3/t21-/m0/s1
InChIKeyPXVGAFLRHRVRDW-NRFANRHFSA-N
MW433.56 g/mol
LogP4.02
Rot. Bonds4

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

8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 95838071) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID95838071
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)c2ccncc2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C25H31N5O2/c1-17-20-9-10-22(31)30(16-18-6-3-2-4-7-18)24(20)28-23(27-17)21-8-5-15-29(21)25(32)19-11-13-26-14-12-19/h11-14,18,21H,2-10,15-16H2,1H3/t21-/m0/s1
InChIKeyPXVGAFLRHRVRDW-NRFANRHFSA-N
XLogP4.02
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclohexylmethyl)-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630934
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
8-(cyclopropylmethyl)-2-[1-(3-methoxybenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260734
8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260699
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629774
8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268560
8-(cyclopropylmethyl)-4-methyl-2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260662
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-[2-(4-methylpiperidin-1-yl)acetyl]piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630019
2-[(2S)-1-(2-aminopyridine-3-carbonyl)piperidin-2-yl]-7-(cyclohexylmethyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629443
8-benzyl-2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260819
8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110267500
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 95838071) is 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)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-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCN2C(=O)c2ccncc2)nc2c1CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PXVGAFLRHRVRDW-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-20-9-10-22(31)30(16-18-6-3-2-4-7-18)24(20)28-23(27-17)21-8-5-15-29(21)25(32)19-11-13-26-14-12-19/h11-14,18,21H,2-10,15-16H2,1H3/t21-/m0/s1.
What are the key properties of 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 433.56 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 95838071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).