5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C25H32N6O — CID 66958783

IUPAC5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O/c1-3-30-12-14-31(15-13-30)11-10-18-4-6-19(7-5-18)21-16-22-23(25(32)29(2)17-26-22)24(28-21)27-20-8-9-20/h4-7,16-17,20H,3,8-15H2,1-2H3,(H,27,28)
InChIKeyASVJHXFRPYKKPV-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.75
Rot. Bonds7

About 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958783) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66958783
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O/c1-3-30-12-14-31(15-13-30)11-10-18-4-6-19(7-5-18)21-16-22-23(25(32)29(2)17-26-22)24(28-21)27-20-8-9-20/h4-7,16-17,20H,3,8-15H2,1-2H3,(H,27,28)
InChIKeyASVJHXFRPYKKPV-UHFFFAOYSA-N
XLogP2.75
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66958783) is 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CCN1CCN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1.
What is the InChIKey of 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ASVJHXFRPYKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-3-30-12-14-31(15-13-30)11-10-18-4-6-19(7-5-18)21-16-22-23(25(32)29(2)17-26-22)24(28-21)27-20-8-9-20/h4-7,16-17,20H,3,8-15H2,1-2H3,(H,27,28).
What are the key properties of 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 432.57 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).