2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C25H22F3N7O3 — CID 142325939

IUPAC2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)C3)c2)cn1
InChIInChI=1S/C25H22F3N7O3/c1-34-12-16(11-31-34)15-9-18(21(29)30-10-15)22(36)32-17-7-8-35(13-17)24(37)19-20(25(26,27)28)38-23(33-19)14-5-3-2-4-6-14/h2-6,9-12,17H,7-8,13H2,1H3,(H2,29,30)(H,32,36)/t17-/m1/s1
InChIKeyKMUAPBISHSMCPH-QGZVFWFLSA-N
MW525.49 g/mol
LogP3.38
Rot. Bonds5

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 142325939) has the molecular formula C25H22F3N7O3 and a molecular weight of 525.49 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID142325939
Molecular FormulaC25H22F3N7O3
Molecular Weight525.49 g/mol
Exact Mass525.17
IUPAC Name2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)C3)c2)cn1
InChIInChI=1S/C25H22F3N7O3/c1-34-12-16(11-31-34)15-9-18(21(29)30-10-15)22(36)32-17-7-8-35(13-17)24(37)19-20(25(26,27)28)38-23(33-19)14-5-3-2-4-6-14/h2-6,9-12,17H,7-8,13H2,1H3,(H2,29,30)(H,32,36)/t17-/m1/s1
InChIKeyKMUAPBISHSMCPH-QGZVFWFLSA-N
XLogP3.38
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-diethylamino-pyridin-3-yl)-amide
CID 57391496
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836623
N-[1-[2-[(4-fluoro-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162497
N-[1-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162628
N-[1-[2-[(4-methoxy-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162756
2-Methyl-4-(pyrrolidine-1-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-amide
CID 71288496
2-[5-methyl-4-[4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049569
2-[5-methyl-4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049571
2-[4-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049592
2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049668
2-[5-methyl-4-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049677

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 142325939) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)C3)c2)cn1.
What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is KMUAPBISHSMCPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H22F3N7O3/c1-34-12-16(11-31-34)15-9-18(21(29)30-10-15)22(36)32-17-7-8-35(13-17)24(37)19-20(25(26,27)28)38-23(33-19)14-5-3-2-4-6-14/h2-6,9-12,17H,7-8,13H2,1H3,(H2,29,30)(H,32,36)/t17-/m1/s1.
What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 525.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142325939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).