5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C25H24N6O2 — CID 92630985

IUPAC5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC[C@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)ccc1=O
InChIInChI=1S/C25H24N6O2/c1-30-14-18(9-12-21(30)32)25(33)31-13-5-8-17(15-31)20-11-10-19-22(26)28-23(29-24(19)27-20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,17H,5,8,13,15H2,1H3,(H2,26,27,28,29)/t17-/m0/s1
InChIKeyGHFYLZUEOFKOHY-KRWDZBQOSA-N
MW440.51 g/mol
LogP2.99
Rot. Bonds3

About 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one

5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 92630985) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID92630985
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC[C@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)ccc1=O
InChIInChI=1S/C25H24N6O2/c1-30-14-18(9-12-21(30)32)25(33)31-13-5-8-17(15-31)20-11-10-19-22(26)28-23(29-24(19)27-20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,17H,5,8,13,15H2,1H3,(H2,26,27,28,29)/t17-/m0/s1
InChIKeyGHFYLZUEOFKOHY-KRWDZBQOSA-N
XLogP2.99
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 92630985) is 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC[C@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)ccc1=O.
What is the InChIKey of 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is GHFYLZUEOFKOHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-30-14-18(9-12-21(30)32)25(33)31-13-5-8-17(15-31)20-11-10-19-22(26)28-23(29-24(19)27-20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,17H,5,8,13,15H2,1H3,(H2,26,27,28,29)/t17-/m0/s1.
What are the key properties of 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 440.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 92630985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).