3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H14FN5O2 — CID 44824305

IUPAC3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccnn2C)c2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C18H14FN5O2/c1-10-9-12(17(25)22-14-7-8-20-24(14)2)15-16(23-26-18(15)21-10)11-5-3-4-6-13(11)19/h3-9H,1-2H3,(H,22,25)
InChIKeyIHSHUWLIJBVBDW-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.32
Rot. Bonds3

About 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824305) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824305
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccnn2C)c2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C18H14FN5O2/c1-10-9-12(17(25)22-14-7-8-20-24(14)2)15-16(23-26-18(15)21-10)11-5-3-4-6-13(11)19/h3-9H,1-2H3,(H,22,25)
InChIKeyIHSHUWLIJBVBDW-UHFFFAOYSA-N
XLogP3.32
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592018
5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3244953
3-Methyl-N~4~-(4-methyl-2-pyridyl)-6-(3-nitrophenyl)isoxazolo[5,4-B]pyridine-4-carboxamide
CID 44522102
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,2-benzoxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 66723614
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(3-methyl-1,2-oxazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044646
N-[1-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrazol-5-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 129192663
US20230286943, Example 81
CID 162362202
US20230286943, Example 82
CID 162362347
5-Amino-1-propan-2-yl-3-(5-pyridin-3-yl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 137642462
N-[1-[2-(ethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 168273843
1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 134809221
WO2022098970, Example 324
CID 164607714

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824305) is 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccnn2C)c2c(-c3ccccc3F)noc2n1.
What is the InChIKey of 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IHSHUWLIJBVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-10-9-12(17(25)22-14-7-8-20-24(14)2)15-16(23-26-18(15)21-10)11-5-3-4-6-13(11)19/h3-9H,1-2H3,(H,22,25).
What are the key properties of 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).