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

C25H33N5O2 — CID 92630565

IUPAC4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C25H33N5O2/c1-17(2)16-30-23(32)13-12-20-18(3)27-24(28-25(20)30)21-10-7-15-29(21)22(31)11-6-9-19-8-4-5-14-26-19/h4-5,8,14,17,21H,6-7,9-13,15-16H2,1-3H3/t21-/m1/s1
InChIKeyRLDDYSWBWJCKCD-OAQYLSRUSA-N
MW435.57 g/mol
LogP3.80
Rot. Bonds7

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

4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630565) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630565
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C25H33N5O2/c1-17(2)16-30-23(32)13-12-20-18(3)27-24(28-25(20)30)21-10-7-15-29(21)22(31)11-6-9-19-8-4-5-14-26-19/h4-5,8,14,17,21H,6-7,9-13,15-16H2,1-3H3/t21-/m1/s1
InChIKeyRLDDYSWBWJCKCD-OAQYLSRUSA-N
XLogP3.80
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630384
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
4-methyl-8-(2-methylpropyl)-2-[(2S)-1-[4-(2-oxopyrrolidin-1-yl)butanoyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630520
4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630068
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
2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629984
8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618772
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260982
4-methyl-2-[(2S)-1-(3-methylbutanoyl)piperidin-2-yl]-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831940

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CC(C)C.
What is the InChIKey of 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RLDDYSWBWJCKCD-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-17(2)16-30-23(32)13-12-20-18(3)27-24(28-25(20)30)21-10-7-15-29(21)22(31)11-6-9-19-8-4-5-14-26-19/h4-5,8,14,17,21H,6-7,9-13,15-16H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 435.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).