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

C22H22FN5O2 — CID 44821758

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1CC(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C22H22FN5O2/c1-12(9-16-11-28(4)26-13(16)2)24-21(29)18-10-19(15-5-7-17(23)8-6-15)25-22-20(18)14(3)27-30-22/h5-8,10-12H,9H2,1-4H3,(H,24,29)
InChIKeyLJAKXHMHPVEMSL-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.74
Rot. Bonds5

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

N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821758) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821758
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1CC(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C22H22FN5O2/c1-12(9-16-11-28(4)26-13(16)2)24-21(29)18-10-19(15-5-7-17(23)8-6-15)25-22-20(18)14(3)27-30-22/h5-8,10-12H,9H2,1-4H3,(H,24,29)
InChIKeyLJAKXHMHPVEMSL-UHFFFAOYSA-N
XLogP3.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821758) is N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)cc1CC(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LJAKXHMHPVEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-12(9-16-11-28(4)26-13(16)2)24-21(29)18-10-19(15-5-7-17(23)8-6-15)25-22-20(18)14(3)27-30-22/h5-8,10-12H,9H2,1-4H3,(H,24,29).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).