6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide

C24H21FN6O2 — CID 161178508

IUPAC6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccn(C)n2)c2c1C=C(c1cccc(-c3cnc(C)o3)c1F)C2
InChIInChI=1S/C24H21FN6O2/c1-13-27-12-20(33-13)16-6-4-5-15(22(16)25)14-9-17-18(10-14)23(28-11-19(17)24(32)26-2)29-21-7-8-31(3)30-21/h4-9,11-12H,10H2,1-3H3,(H,26,32)(H,28,29,30)
InChIKeyUSDBIEYIHATZKP-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.12
Rot. Bonds5

About 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide

6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 161178508) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID161178508
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccn(C)n2)c2c1C=C(c1cccc(-c3cnc(C)o3)c1F)C2
InChIInChI=1S/C24H21FN6O2/c1-13-27-12-20(33-13)16-6-4-5-15(22(16)25)14-9-17-18(10-14)23(28-11-19(17)24(32)26-2)29-21-7-8-31(3)30-21/h4-9,11-12H,10H2,1-3H3,(H,26,32)(H,28,29,30)
InChIKeyUSDBIEYIHATZKP-UHFFFAOYSA-N
XLogP4.12
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592269
[5-(4-Fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-ylpyridin-3-yl)methyl]azanium
CID 38052390
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3-oxazol-2-yl)acetamide
CID 155537512
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
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-[2-[4-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]piperazin-1-yl]-1,3-oxazol-5-yl]benzonitrile
CID 137049627
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 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide (CID 161178508) is 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide is CNC(=O)c1cnc(Nc2ccn(C)n2)c2c1C=C(c1cccc(-c3cnc(C)o3)c1F)C2.
What is the InChIKey of 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is USDBIEYIHATZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-13-27-12-20(33-13)16-6-4-5-15(22(16)25)14-9-17-18(10-14)23(28-11-19(17)24(32)26-2)29-21-7-8-31(3)30-21/h4-9,11-12H,10H2,1-3H3,(H,26,32)(H,28,29,30).
What are the key properties of 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide?
6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 161178508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).