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

C23H27N5O2 — CID 66959185

IUPAC5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(OCCN4CCCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H27N5O2/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-17-6-7-17)16-4-8-18(9-5-16)30-13-12-28-10-2-3-11-28/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,25,26)
InChIKeyIWGGDLSUKYIQKF-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.04
Rot. Bonds7

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

5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959185) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959185
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(OCCN4CCCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H27N5O2/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-17-6-7-17)16-4-8-18(9-5-16)30-13-12-28-10-2-3-11-28/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,25,26)
InChIKeyIWGGDLSUKYIQKF-UHFFFAOYSA-N
XLogP3.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 66959185) is 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(OCCN4CCCC4)cc3)nc(NC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IWGGDLSUKYIQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-17-6-7-17)16-4-8-18(9-5-16)30-13-12-28-10-2-3-11-28/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,25,26).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).