2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C20H18FN7O3 — CID 118233378

IUPAC2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCC(=O)c1cc(-c2nc(N)c3c(n2)NC(=O)C3(C)C(N)=O)nn1Cc1ccccc1F
InChIInChI=1S/C20H18FN7O3/c1-9(29)13-7-12(27-28(13)8-10-5-3-4-6-11(10)21)16-24-15(22)14-17(25-16)26-19(31)20(14,2)18(23)30/h3-7H,8H2,1-2H3,(H2,23,30)(H3,22,24,25,26,31)
InChIKeyFWZOIWUDYZFNJL-UHFFFAOYSA-N
MW423.41 g/mol
LogP1.01
Rot. Bonds5

About 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 118233378) has the molecular formula C20H18FN7O3 and a molecular weight of 423.41 g/mol. Its IUPAC name is 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID118233378
Molecular FormulaC20H18FN7O3
Molecular Weight423.41 g/mol
Exact Mass423.15
IUPAC Name2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCC(=O)c1cc(-c2nc(N)c3c(n2)NC(=O)C3(C)C(N)=O)nn1Cc1ccccc1F
InChIInChI=1S/C20H18FN7O3/c1-9(29)13-7-12(27-28(13)8-10-5-3-4-6-11(10)21)16-24-15(22)14-17(25-16)26-19(31)20(14,2)18(23)30/h3-7H,8H2,1-2H3,(H2,23,30)(H3,22,24,25,26,31)
InChIKeyFWZOIWUDYZFNJL-UHFFFAOYSA-N
XLogP1.01
TPSA158.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide 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

ethyl 4-bromo-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 118233407
1-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 118697584
3-[4-[(5S)-4-amino-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanoic acid
CID 129242668
5-cyclopropylimino-9-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-4-methyl-2,6,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-3-one
CID 166648401
4-bromo-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 134562375
3-[4-[(5R)-4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanoic acid
CID 129243224
4-amino-5-methyl-6-oxo-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 89438392
1-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[3-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]pyrazol-5-yl]ethanone
CID 118233328
(4S)-1-[2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidin-4-yl]-4-methylpiperidin-3-one
CID 145047090
3-[4-[(5R)-4-amino-2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanoic acid
CID 129243013
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
ethane;3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5,5-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazin-6-one
CID 145046823

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 118233378) is 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is CC(=O)c1cc(-c2nc(N)c3c(n2)NC(=O)C3(C)C(N)=O)nn1Cc1ccccc1F.
What is the InChIKey of 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FWZOIWUDYZFNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O3/c1-9(29)13-7-12(27-28(13)8-10-5-3-4-6-11(10)21)16-24-15(22)14-17(25-16)26-19(31)20(14,2)18(23)30/h3-7H,8H2,1-2H3,(H2,23,30)(H3,22,24,25,26,31).
What are the key properties of 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 423.41 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 118233378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).