6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C25H28ClN7O — CID 90299626

IUPAC6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1cnc(-c2cc(N3CCc4nc(N5CC(C)NC(C)C5)ncc4C3=O)ncc2Cl)c(C)c1
InChIInChI=1S/C25H28ClN7O/c1-14-7-15(2)23(28-9-14)18-8-22(27-11-20(18)26)33-6-5-21-19(24(33)34)10-29-25(31-21)32-12-16(3)30-17(4)13-32/h7-11,16-17,30H,5-6,12-13H2,1-4H3
InChIKeyJKEFMSIBUJNQQF-UHFFFAOYSA-N
MW478.00 g/mol
LogP3.59
Rot. Bonds3

About 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 90299626) has the molecular formula C25H28ClN7O and a molecular weight of 478.00 g/mol. Its IUPAC name is 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID90299626
Molecular FormulaC25H28ClN7O
Molecular Weight478.00 g/mol
Exact Mass477.20
IUPAC Name6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1cnc(-c2cc(N3CCc4nc(N5CC(C)NC(C)C5)ncc4C3=O)ncc2Cl)c(C)c1
InChIInChI=1S/C25H28ClN7O/c1-14-7-15(2)23(28-9-14)18-8-22(27-11-20(18)26)33-6-5-21-19(24(33)34)10-29-25(31-21)32-12-16(3)30-17(4)13-32/h7-11,16-17,30H,5-6,12-13H2,1-4H3
InChIKeyJKEFMSIBUJNQQF-UHFFFAOYSA-N
XLogP3.59
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 90299626) is 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is Cc1cnc(-c2cc(N3CCc4nc(N5CC(C)NC(C)C5)ncc4C3=O)ncc2Cl)c(C)c1.
What is the InChIKey of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JKEFMSIBUJNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O/c1-14-7-15(2)23(28-9-14)18-8-22(27-11-20(18)26)33-6-5-21-19(24(33)34)10-29-25(31-21)32-12-16(3)30-17(4)13-32/h7-11,16-17,30H,5-6,12-13H2,1-4H3.
What are the key properties of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 478.00 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-(3,5-dimethylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 90299626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).