N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide

C21H20FN7O — CID 58386275

IUPACN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C21H20FN7O/c1-27-11-8-23-20(27)21(30)25-16-13-24-29-10-7-18(26-19(16)29)28-9-3-6-17(28)14-4-2-5-15(22)12-14/h2,4-5,7-8,10-13,17H,3,6,9H2,1H3,(H,25,30)/t17-/m1/s1
InChIKeyOXNMHSYUFCUDSC-QGZVFWFLSA-N
MW405.44 g/mol
LogP3.20
Rot. Bonds4

About N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide (PubChem CID 58386275) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide
PubChem CID58386275
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C21H20FN7O/c1-27-11-8-23-20(27)21(30)25-16-13-24-29-10-7-18(26-19(16)29)28-9-3-6-17(28)14-4-2-5-15(22)12-14/h2,4-5,7-8,10-13,17H,3,6,9H2,1H3,(H,25,30)/t17-/m1/s1
InChIKeyOXNMHSYUFCUDSC-QGZVFWFLSA-N
XLogP3.20
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-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

Larotrectinib
CID 46188928
Larotrectinib Sulfate
CID 67330085
Tizaterkib
CID 129116690
Emzeltrectinib
CID 134480550
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
4-Acetyl-1-(3-{4-Amino-5-[1-(2,2,2-Trifluoroethyl)-1h-Pyrazol-5-Yl]pyrrolo[2,1-F][1,2,4]triazin-7-Yl}phenyl)-3,3-Dimethylpiperazin-2-One
CID 127053611
1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide (CID 58386275) is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12.
What is the InChIKey of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is OXNMHSYUFCUDSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-27-11-8-23-20(27)21(30)25-16-13-24-29-10-7-18(26-19(16)29)28-9-3-6-17(28)14-4-2-5-15(22)12-14/h2,4-5,7-8,10-13,17H,3,6,9H2,1H3,(H,25,30)/t17-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide?
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 58386275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).