6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one

C26H37N7O2 — CID 163831972

IUPAC6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)C1C(=O)N(C2C=CCC2)C2=C(C=NC(C)(NC3=CC=C(N4CCNCC4)C(C)N3)N2)C1C
InChIInChI=1S/C26H37N7O2/c1-16-20-15-28-26(4,30-22-10-9-21(17(2)29-22)32-13-11-27-12-14-32)31-24(20)33(19-7-5-6-8-19)25(35)23(16)18(3)34/h5,7,9-10,15-17,19,23,27,29-31H,6,8,11-14H2,1-4H3
InChIKeyOEJKHJPXUFNMPB-UHFFFAOYSA-N
MW479.63 g/mol
LogP1.16
Rot. Bonds5

About 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 163831972) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID163831972
Molecular FormulaC26H37N7O2
Molecular Weight479.63 g/mol
Exact Mass479.30
IUPAC Name6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)C1C(=O)N(C2C=CCC2)C2=C(C=NC(C)(NC3=CC=C(N4CCNCC4)C(C)N3)N2)C1C
InChIInChI=1S/C26H37N7O2/c1-16-20-15-28-26(4,30-22-10-9-21(17(2)29-22)32-13-11-27-12-14-32)31-24(20)33(19-7-5-6-8-19)25(35)23(16)18(3)34/h5,7,9-10,15-17,19,23,27,29-31H,6,8,11-14H2,1-4H3
InChIKeyOEJKHJPXUFNMPB-UHFFFAOYSA-N
XLogP1.16
TPSA101.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one (CID 163831972) is 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one is CC(=O)C1C(=O)N(C2C=CCC2)C2=C(C=NC(C)(NC3=CC=C(N4CCNCC4)C(C)N3)N2)C1C.
What is the InChIKey of 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OEJKHJPXUFNMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2/c1-16-20-15-28-26(4,30-22-10-9-21(17(2)29-22)32-13-11-27-12-14-32)31-24(20)33(19-7-5-6-8-19)25(35)23(16)18(3)34/h5,7,9-10,15-17,19,23,27,29-31H,6,8,11-14H2,1-4H3.
What are the key properties of 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 479.63 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163831972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).