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

C26H22FN5O2 — CID 30297754

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c12
InChIInChI=1S/C26H22FN5O2/c1-17-24-22(12-23(29-25(24)34-30-17)20-8-10-21(27)11-9-20)26(33)31(2)14-19-13-28-32(16-19)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3
InChIKeyHNBPKMPFABLLQE-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.85
Rot. Bonds6

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

N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30297754) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30297754
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c12
InChIInChI=1S/C26H22FN5O2/c1-17-24-22(12-23(29-25(24)34-30-17)20-8-10-21(27)11-9-20)26(33)31(2)14-19-13-28-32(16-19)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3
InChIKeyHNBPKMPFABLLQE-UHFFFAOYSA-N
XLogP4.85
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55920916
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43051207
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051395
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830424
N-(2-anilino-2-oxoethyl)-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55638797
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767329
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 30297754) is N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c12.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HNBPKMPFABLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-17-24-22(12-23(29-25(24)34-30-17)20-8-10-21(27)11-9-20)26(33)31(2)14-19-13-28-32(16-19)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30297754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).