3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C23H27N5O3 — CID 66958757

IUPAC3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C23H27N5O3/c1-15(2)25-22-21-19(24-14-27(3)23(21)30)13-18(26-22)17-6-4-16(5-7-17)12-20(29)28-8-10-31-11-9-28/h4-7,13-15H,8-12H2,1-3H3,(H,25,26)
InChIKeyMOVFGUGZOHACDS-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.22
Rot. Bonds5

About 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958757) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958757
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C23H27N5O3/c1-15(2)25-22-21-19(24-14-27(3)23(21)30)13-18(26-22)17-6-4-16(5-7-17)12-20(29)28-8-10-31-11-9-28/h4-7,13-15H,8-12H2,1-3H3,(H,25,26)
InChIKeyMOVFGUGZOHACDS-UHFFFAOYSA-N
XLogP2.22
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66958757) is 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MOVFGUGZOHACDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(2)25-22-21-19(24-14-27(3)23(21)30)13-18(26-22)17-6-4-16(5-7-17)12-20(29)28-8-10-31-11-9-28/h4-7,13-15H,8-12H2,1-3H3,(H,25,26).
What are the key properties of 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).