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

C25H24FN7O2 — CID 171315458

IUPAC6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c2c(C)noc2n1
InChIInChI=1S/C25H24FN7O2/c1-13-20(12-32(5)29-13)21-10-19(22-14(2)31-35-25(22)27-21)24(34)28-23-15(3)30-33(16(23)4)11-17-6-8-18(26)9-7-17/h6-10,12H,11H2,1-5H3,(H,28,34)
InChIKeyZJKRNKCDJKGHKB-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.49
Rot. Bonds5

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

6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315458) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315458
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c2c(C)noc2n1
InChIInChI=1S/C25H24FN7O2/c1-13-20(12-32(5)29-13)21-10-19(22-14(2)31-35-25(22)27-21)24(34)28-23-15(3)30-33(16(23)4)11-17-6-8-18(26)9-7-17/h6-10,12H,11H2,1-5H3,(H,28,34)
InChIKeyZJKRNKCDJKGHKB-UHFFFAOYSA-N
XLogP4.49
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315307
5-ethyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 46246339
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 155351767
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315392
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19409797
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171105
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315458) is 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c2c(C)noc2n1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZJKRNKCDJKGHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-13-20(12-32(5)29-13)21-10-19(22-14(2)31-35-25(22)27-21)24(34)28-23-15(3)30-33(16(23)4)11-17-6-8-18(26)9-7-17/h6-10,12H,11H2,1-5H3,(H,28,34).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).