6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one

C19H21N7O2 — CID 138059460

IUPAC6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)C1C(=O)N=c2nc(Nc3ccc(N4CCNCC4)cn3)ncc2=C1C
InChIInChI=1S/C19H21N7O2/c1-11-14-10-22-19(25-17(14)24-18(28)16(11)12(2)27)23-15-4-3-13(9-21-15)26-7-5-20-6-8-26/h3-4,9-10,16,20H,5-8H2,1-2H3,(H,21,23,24,25,28)
InChIKeyAMJHZHDIIZCKOH-UHFFFAOYSA-N
MW379.42 g/mol
LogP-0.44
Rot. Bonds4

About 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one

6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 138059460) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID138059460
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)C1C(=O)N=c2nc(Nc3ccc(N4CCNCC4)cn3)ncc2=C1C
InChIInChI=1S/C19H21N7O2/c1-11-14-10-22-19(25-17(14)24-18(28)16(11)12(2)27)23-15-4-3-13(9-21-15)26-7-5-20-6-8-26/h3-4,9-10,16,20H,5-8H2,1-2H3,(H,21,23,24,25,28)
InChIKeyAMJHZHDIIZCKOH-UHFFFAOYSA-N
XLogP-0.44
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
CID 130378536
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-(2,2,5,5-tetradeuteriocyclopentyl)pyrido[2,3-d]pyrimidin-7-one
CID 86296420
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
6-acetyl-8-(2-bicyclo[3.1.0]hexanyl)-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 145063301
6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 145063271
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
(E)-1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-2-methylbut-2-en-1-one
CID 163734758
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one (CID 138059460) is 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one is CC(=O)C1C(=O)N=c2nc(Nc3ccc(N4CCNCC4)cn3)ncc2=C1C.
What is the InChIKey of 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AMJHZHDIIZCKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11-14-10-22-19(25-17(14)24-18(28)16(11)12(2)27)23-15-4-3-13(9-21-15)26-7-5-20-6-8-26/h3-4,9-10,16,20H,5-8H2,1-2H3,(H,21,23,24,25,28).
What are the key properties of 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 379.42 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 138059460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).