6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

C25H26ClN7O — CID 137436811

IUPAC6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(-c2ccccc2Cl)c(=O)[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc12
InChIInChI=1S/C25H26ClN7O/c1-16-19-14-28-25(31-23(19)30-24(34)22(16)18-5-3-4-6-20(18)26)29-21-8-7-17(13-27-21)15-33-11-9-32(2)10-12-33/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,29,30,31,34)
InChIKeyGQWHDASZVLQGFE-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.83
Rot. Bonds5

About 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 137436811) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID137436811
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(-c2ccccc2Cl)c(=O)[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc12
InChIInChI=1S/C25H26ClN7O/c1-16-19-14-28-25(31-23(19)30-24(34)22(16)18-5-3-4-6-20(18)26)29-21-8-7-17(13-27-21)15-33-11-9-32(2)10-12-33/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,29,30,31,34)
InChIKeyGQWHDASZVLQGFE-UHFFFAOYSA-N
XLogP3.83
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 137436811) is 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1c(-c2ccccc2Cl)c(=O)[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc12.
What is the InChIKey of 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GQWHDASZVLQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-16-19-14-28-25(31-23(19)30-24(34)22(16)18-5-3-4-6-20(18)26)29-21-8-7-17(13-27-21)15-33-11-9-32(2)10-12-33/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,29,30,31,34).
What are the key properties of 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.98 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137436811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).