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

C25H20FN5O2 — CID 44824316

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)cnn1C
InChIInChI=1S/C25H20FN5O2/c1-15-18(14-28-31(15)2)13-27-24(32)20-12-21(16-8-10-19(26)11-9-16)29-25-22(20)23(30-33-25)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,27,32)
InChIKeyLOUULNVOWJIFNR-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.67
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824316) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824316
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)cnn1C
InChIInChI=1S/C25H20FN5O2/c1-15-18(14-28-31(15)2)13-27-24(32)20-12-21(16-8-10-19(26)11-9-16)29-25-22(20)23(30-33-25)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,27,32)
InChIKeyLOUULNVOWJIFNR-UHFFFAOYSA-N
XLogP4.67
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824402
3-(4-fluorophenyl)-N-(2-methoxyethyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824377
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
6-[3-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315358
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821389
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865305
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
N-[[4-(dimethylamino)phenyl]methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35830253
6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315319
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824316) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LOUULNVOWJIFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-15-18(14-28-31(15)2)13-27-24(32)20-12-21(16-8-10-19(26)11-9-16)29-25-22(20)23(30-33-25)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,27,32).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).