5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

C23H27N5O — CID 66958957

IUPAC5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(CCN4CCCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H27N5O/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-18-8-9-18)17-6-4-16(5-7-17)10-13-28-11-2-3-12-28/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,25,26)
InChIKeyLDAUUSUJEVEAAA-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.21
Rot. Bonds6

About 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958957) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958957
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(CCN4CCCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H27N5O/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-18-8-9-18)17-6-4-16(5-7-17)10-13-28-11-2-3-12-28/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,25,26)
InChIKeyLDAUUSUJEVEAAA-UHFFFAOYSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 66958957) is 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(CCN4CCCC4)cc3)nc(NC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LDAUUSUJEVEAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-18-8-9-18)17-6-4-16(5-7-17)10-13-28-11-2-3-12-28/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,25,26).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).