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

C24H29N5O2 — CID 66959561

IUPAC5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@@H]1CN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CCO1
InChIInChI=1S/C24H29N5O2/c1-16-14-29(11-12-31-16)10-9-17-3-5-18(6-4-17)20-13-21-22(24(30)28(2)15-25-21)23(27-20)26-19-7-8-19/h3-6,13,15-16,19H,7-12,14H2,1-2H3,(H,26,27)/t16-/m1/s1
InChIKeyLFSUCXSRHXNJQH-MRXNPFEDSA-N
MW419.53 g/mol
LogP2.83
Rot. Bonds6

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

5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959561) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959561
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@@H]1CN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CCO1
InChIInChI=1S/C24H29N5O2/c1-16-14-29(11-12-31-16)10-9-17-3-5-18(6-4-17)20-13-21-22(24(30)28(2)15-25-21)23(27-20)26-19-7-8-19/h3-6,13,15-16,19H,7-12,14H2,1-2H3,(H,26,27)/t16-/m1/s1
InChIKeyLFSUCXSRHXNJQH-MRXNPFEDSA-N
XLogP2.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.83
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-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 66959561) is 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one is C[C@@H]1CN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CCO1.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LFSUCXSRHXNJQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-14-29(11-12-31-16)10-9-17-3-5-18(6-4-17)20-13-21-22(24(30)28(2)15-25-21)23(27-20)26-19-7-8-19/h3-6,13,15-16,19H,7-12,14H2,1-2H3,(H,26,27)/t16-/m1/s1.
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-[4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 419.53 g/mol, XLogP of 2.83, 6 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-[(2R)-2-methylmorpholin-4-yl]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).