5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one

C25H32N6O — CID 66958881

IUPAC5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC(NCCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O/c1-30-13-10-19(11-14-30)26-12-9-17-3-5-18(6-4-17)21-15-22-23(25(32)31(2)16-27-22)24(29-21)28-20-7-8-20/h3-6,15-16,19-20,26H,7-14H2,1-2H3,(H,28,29)
InChIKeyJFQKNPUFPIUTSR-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.80
Rot. Bonds7

About 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958881) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958881
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC(NCCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O/c1-30-13-10-19(11-14-30)26-12-9-17-3-5-18(6-4-17)21-15-22-23(25(32)31(2)16-27-22)24(29-21)28-20-7-8-20/h3-6,15-16,19-20,26H,7-14H2,1-2H3,(H,28,29)
InChIKeyJFQKNPUFPIUTSR-UHFFFAOYSA-N
XLogP2.80
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 66958881) is 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one is CN1CCC(NCCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JFQKNPUFPIUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-30-13-10-19(11-14-30)26-12-9-17-3-5-18(6-4-17)21-15-22-23(25(32)31(2)16-27-22)24(29-21)28-20-7-8-20/h3-6,15-16,19-20,26H,7-14H2,1-2H3,(H,28,29).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 432.57 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).