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

C25H20FN5O2 — CID 44824402

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)cn1
InChIInChI=1S/C25H20FN5O2/c1-2-31-15-16(14-28-31)13-27-24(32)20-12-21(17-8-10-19(26)11-9-17)29-25-22(20)23(30-33-25)18-6-4-3-5-7-18/h3-12,14-15H,2,13H2,1H3,(H,27,32)
InChIKeyKRNUKOAFLBBYJA-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.84
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824402) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824402
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)cn1
InChIInChI=1S/C25H20FN5O2/c1-2-31-15-16(14-28-31)13-27-24(32)20-12-21(17-8-10-19(26)11-9-17)29-25-22(20)23(30-33-25)18-6-4-3-5-7-18/h3-12,14-15H,2,13H2,1H3,(H,27,32)
InChIKeyKRNUKOAFLBBYJA-UHFFFAOYSA-N
XLogP4.84
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824316
3-(4-fluorophenyl)-N-(2-methoxyethyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824377
N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824754
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824945
6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315320
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
N-(2,2-difluoroethyl)-6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315435
N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30297754
N-[[4-(dimethylamino)phenyl]methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35830253
6-(1-ethylpyrazol-3-yl)-N,3-diphenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315294

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824402) is N-[(1-ethylpyrazol-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-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KRNUKOAFLBBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-2-31-15-16(14-28-31)13-27-24(32)20-12-21(17-8-10-19(26)11-9-17)29-25-22(20)23(30-33-25)18-6-4-3-5-7-18/h3-12,14-15H,2,13H2,1H3,(H,27,32).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1-ethylpyrazol-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 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).