4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C26H35N5O2 — CID 127249388

IUPAC4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)CCCc3ccccn3)C2)nc2c1CCC(=O)N2CCC(C)C
InChIInChI=1S/C26H35N5O2/c1-18(2)12-16-31-24(33)11-10-22-19(3)28-25(29-26(22)31)20-13-15-30(17-20)23(32)9-6-8-21-7-4-5-14-27-21/h4-5,7,14,18,20H,6,8-13,15-17H2,1-3H3
InChIKeyUMVYPNATRVTQKP-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.84
Rot. Bonds8

About 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 127249388) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID127249388
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)CCCc3ccccn3)C2)nc2c1CCC(=O)N2CCC(C)C
InChIInChI=1S/C26H35N5O2/c1-18(2)12-16-31-24(33)11-10-22-19(3)28-25(29-26(22)31)20-13-15-30(17-20)23(32)9-6-8-21-7-4-5-14-27-21/h4-5,7,14,18,20H,6,8-13,15-17H2,1-3H3
InChIKeyUMVYPNATRVTQKP-UHFFFAOYSA-N
XLogP3.84
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630565
2-[1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-3-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249395
2-[(3S)-1-[4-(dimethylamino)benzoyl]pyrrolidin-3-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124959517
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249340
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110263373
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249292
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
2-methoxy-1-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92622452
4-methyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 127249388) is 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(C(=O)CCCc3ccccn3)C2)nc2c1CCC(=O)N2CCC(C)C.
What is the InChIKey of 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UMVYPNATRVTQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-18(2)12-16-31-24(33)11-10-22-19(3)28-25(29-26(22)31)20-13-15-30(17-20)23(32)9-6-8-21-7-4-5-14-27-21/h4-5,7,14,18,20H,6,8-13,15-17H2,1-3H3.
What are the key properties of 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 449.60 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127249388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).