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

C22H19FN4O3 — CID 112826522

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c12
InChIInChI=1S/C22H19FN4O3/c1-12(2)18-10-17(20-13(3)27-30-22(20)26-18)21(28)25-15-6-9-19(24-11-15)29-16-7-4-14(23)5-8-16/h4-12H,1-3H3,(H,25,28)
InChIKeyUARPFIYNCXBLQY-UHFFFAOYSA-N
MW406.42 g/mol
LogP5.23
Rot. Bonds5

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

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 112826522) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID112826522
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c12
InChIInChI=1S/C22H19FN4O3/c1-12(2)18-10-17(20-13(3)27-30-22(20)26-18)21(28)25-15-6-9-19(24-11-15)29-16-7-4-14(23)5-8-16/h4-12H,1-3H3,(H,25,28)
InChIKeyUARPFIYNCXBLQY-UHFFFAOYSA-N
XLogP5.23
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78861772
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
N-(1H-indol-6-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45493215
N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78886813
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78849286
N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78891603
N-(2-amino-5-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119420959
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808169

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 112826522) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c12.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UARPFIYNCXBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-12(2)18-10-17(20-13(3)27-30-22(20)26-18)21(28)25-15-6-9-19(24-11-15)29-16-7-4-14(23)5-8-16/h4-12H,1-3H3,(H,25,28).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 112826522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).