5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one

C22H27N7O — CID 146202447

IUPAC5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one
SMILESCCCN1CC(=O)N(C)c2cnc(NCc3cnn(Cc4ccc(C)cc4)c3)nc21
InChIInChI=1S/C22H27N7O/c1-4-9-28-15-20(30)27(3)19-12-24-22(26-21(19)28)23-10-18-11-25-29(14-18)13-17-7-5-16(2)6-8-17/h5-8,11-12,14H,4,9-10,13,15H2,1-3H3,(H,23,24,26)
InChIKeyUFECMDUYAKGBJY-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.83
Rot. Bonds7

About 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one

5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one (PubChem CID 146202447) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one.

Molecular Properties

Compound Name5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one
PubChem CID146202447
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one
SMILESCCCN1CC(=O)N(C)c2cnc(NCc3cnn(Cc4ccc(C)cc4)c3)nc21
InChIInChI=1S/C22H27N7O/c1-4-9-28-15-20(30)27(3)19-12-24-22(26-21(19)28)23-10-18-11-25-29(14-18)13-17-7-5-16(2)6-8-17/h5-8,11-12,14H,4,9-10,13,15H2,1-3H3,(H,23,24,26)
InChIKeyUFECMDUYAKGBJY-UHFFFAOYSA-N
XLogP2.83
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-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

5,8-dimethyl-2-[[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-7H-pteridin-6-one;propane
CID 153355462
2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-5,7,8-trimethyl-7H-pteridin-6-one
CID 146194259
4-methyl-8-propyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
CID 146203238
5,8-dimethyl-7-propyl-2-[[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-7H-pteridin-6-one
CID 146194297
7-ethyl-5-(2-fluoroethyl)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7H-pteridin-6-one
CID 146203269
7-ethyl-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-5-propan-2-yl-7H-pteridin-6-one
CID 146203317
2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one
CID 146202926
4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide
CID 146202280
(7S)-7-ethyl-5-methyl-8-(1,2,2-trifluoroethyl)-2-[[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-7H-pteridin-6-one
CID 175601702
(6aS)-5-methyl-2-[[1-[(3-propan-2-ylphenyl)methyl]pyrazol-4-yl]methylamino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one;sulfane
CID 158374526
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one?
The IUPAC name of 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one (CID 146202447) is 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one.
What is the SMILES notation for 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one?
The canonical SMILES for 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one is CCCN1CC(=O)N(C)c2cnc(NCc3cnn(Cc4ccc(C)cc4)c3)nc21.
What is the InChIKey of 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one?
The InChIKey is UFECMDUYAKGBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-4-9-28-15-20(30)27(3)19-12-24-22(26-21(19)28)23-10-18-11-25-29(14-18)13-17-7-5-16(2)6-8-17/h5-8,11-12,14H,4,9-10,13,15H2,1-3H3,(H,23,24,26).
What are the key properties of 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one?
5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one has a molecular weight of 405.51 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one is sourced from PubChem (CID 146202447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).