1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one

C26H38N6O — CID 142543050

IUPAC1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCc1cc2c(N3CCNCC3C)nc(=O)n(C3=C(C)C=CN(C)C3C(C)C)c2nc1CC
InChIInChI=1S/C26H38N6O/c1-8-19-14-20-24(31-13-11-27-15-18(31)6)29-26(33)32(25(20)28-21(19)9-2)23-17(5)10-12-30(7)22(23)16(3)4/h10,12,14,16,18,22,27H,8-9,11,13,15H2,1-7H3
InChIKeyJEIZAZNEFNYKFP-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.43
Rot. Bonds5

About 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one

1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 142543050) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID142543050
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC Name1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCc1cc2c(N3CCNCC3C)nc(=O)n(C3=C(C)C=CN(C)C3C(C)C)c2nc1CC
InChIInChI=1S/C26H38N6O/c1-8-19-14-20-24(31-13-11-27-15-18(31)6)29-26(33)32(25(20)28-21(19)9-2)23-17(5)10-12-30(7)22(23)16(3)4/h10,12,14,16,18,22,27H,8-9,11,13,15H2,1-7H3
InChIKeyJEIZAZNEFNYKFP-UHFFFAOYSA-N
XLogP3.43
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one (CID 142543050) is 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one is CCc1cc2c(N3CCNCC3C)nc(=O)n(C3=C(C)C=CN(C)C3C(C)C)c2nc1CC.
What is the InChIKey of 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is JEIZAZNEFNYKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-8-19-14-20-24(31-13-11-27-15-18(31)6)29-26(33)32(25(20)28-21(19)9-2)23-17(5)10-12-30(7)22(23)16(3)4/h10,12,14,16,18,22,27H,8-9,11,13,15H2,1-7H3.
What are the key properties of 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one?
1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 450.63 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2-propan-2-yl-2H-pyridin-3-yl)-6,7-diethyl-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 142543050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).