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

C26H38N4O2 — CID 125014355

IUPAC8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C26H38N4O2/c1-18-22-11-12-23(31)30(16-20-9-3-2-4-10-20)26(22)28-25(27-18)21-13-14-29(17-21)24(32)15-19-7-5-6-8-19/h19-21H,2-17H2,1H3/t21-/m0/s1
InChIKeyWLTDDESIEWQGRJ-NRFANRHFSA-N
MW438.62 g/mol
LogP4.54
Rot. Bonds5

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

8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 125014355) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID125014355
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C26H38N4O2/c1-18-22-11-12-23(31)30(16-20-9-3-2-4-10-20)26(22)28-25(27-18)21-13-14-29(17-21)24(32)15-19-7-5-6-8-19/h19-21H,2-17H2,1H3/t21-/m0/s1
InChIKeyWLTDDESIEWQGRJ-NRFANRHFSA-N
XLogP4.54
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(cyclohexylmethyl)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
N-[2-[(3S)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618743
N-[2-[(3R)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618742
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079
8-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629208
N-[2-[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92630165
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)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249369
8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261011
8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629641

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 125014355) is 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WLTDDESIEWQGRJ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-18-22-11-12-23(31)30(16-20-9-3-2-4-10-20)26(22)28-25(27-18)21-13-14-29(17-21)24(32)15-19-7-5-6-8-19/h19-21H,2-17H2,1H3/t21-/m0/s1.
What are the key properties of 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 438.62 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 125014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).