5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C20H24N6O2 — CID 66959207

IUPAC5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C20H24N6O2/c1-26-12-23-16-10-15(25-19(18(16)20(26)27)24-14-5-6-14)13-4-7-17(22-11-13)21-8-3-9-28-2/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyNGKBRBYGJKSMQE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds8

About 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959207) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959207
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C20H24N6O2/c1-26-12-23-16-10-15(25-19(18(16)20(26)27)24-14-5-6-14)13-4-7-17(22-11-13)21-8-3-9-28-2/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyNGKBRBYGJKSMQE-UHFFFAOYSA-N
XLogP2.41
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[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

5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397
5-(2-methoxyethylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958766
5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958881
5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one
CID 66892160
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740
5-(cyclopropylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923119
5-(cyclopropylamino)-3-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923268
5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093049
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66891408
3-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 50924891
7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959326

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959207) is 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is COCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1.
What is the InChIKey of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NGKBRBYGJKSMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-26-12-23-16-10-15(25-19(18(16)20(26)27)24-14-5-6-14)13-4-7-17(22-11-13)21-8-3-9-28-2/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).