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

C23H29N5O3 — CID 66959179

IUPAC3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(OCCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C23H29N5O3/c1-16(2)25-22-21-20(24-15-27(3)23(21)29)14-19(26-22)17-4-6-18(7-5-17)31-13-10-28-8-11-30-12-9-28/h4-7,14-16H,8-13H2,1-3H3,(H,25,26)
InChIKeyPIVQLMKVKKDIOQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.53
Rot. Bonds7

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

3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959179) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959179
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(OCCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C23H29N5O3/c1-16(2)25-22-21-20(24-15-27(3)23(21)29)14-19(26-22)17-4-6-18(7-5-17)31-13-10-28-8-11-30-12-9-28/h4-7,14-16H,8-13H2,1-3H3,(H,25,26)
InChIKeyPIVQLMKVKKDIOQ-UHFFFAOYSA-N
XLogP2.53
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolo-pyrimidone, 17
CID 135524085
2-(2,6-dimethoxypyridin-3-yl)-6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 25198729
2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218728
6-{[(3-chlorophenyl)methyl]amino}-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 25218736
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(5-methyl-2-pyridinyl)acetamide
CID 11525776
N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11656570
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyridin-2-ylacetamide
CID 11676986
(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 16225982
4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 53494535
(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424831
(7R)-2-amino-7-[4-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424917
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[[6-(4-methoxyphenyl)-2-pyridinyl]amino]benzamide
CID 71523042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959179) is 3-methyl-7-[4-(2-morpholin-4-ylethoxy)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-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(OCCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PIVQLMKVKKDIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16(2)25-22-21-20(24-15-27(3)23(21)29)14-19(26-22)17-4-6-18(7-5-17)31-13-10-28-8-11-30-12-9-28/h4-7,14-16H,8-13H2,1-3H3,(H,25,26).
What are the key properties of 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 423.52 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).