5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C21H25N5O3 — CID 66959576

IUPAC5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](CO)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H25N5O3/c1-14(12-27)23-20-19-18(22-13-25(2)21(19)28)11-17(24-20)15-3-5-16(6-4-15)26-7-9-29-10-8-26/h3-6,11,13-14,27H,7-10,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyKMULZYLEJHKTQK-CQSZACIVSA-N
MW395.46 g/mol
LogP1.62
Rot. Bonds5

About 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959576) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959576
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](CO)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H25N5O3/c1-14(12-27)23-20-19-18(22-13-25(2)21(19)28)11-17(24-20)15-3-5-16(6-4-15)26-7-9-29-10-8-26/h3-6,11,13-14,27H,7-10,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyKMULZYLEJHKTQK-CQSZACIVSA-N
XLogP1.62
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)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

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295666
4-[4-(morpholine-4-carbonyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118043323
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094043
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2,6-dimethyl-morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043167
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959576) is 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is C[C@H](CO)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KMULZYLEJHKTQK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14(12-27)23-20-19-18(22-13-25(2)21(19)28)11-17(24-20)15-3-5-16(6-4-15)26-7-9-29-10-8-26/h3-6,11,13-14,27H,7-10,12H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-hydroxypropan-2-yl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).