N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C18H19FN4O2 — CID 75499954

IUPACN-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1cnc2c(c1)ncn2C)C(O)c1ccccc1F
InChIInChI=1S/C18H19FN4O2/c1-3-14(16(24)12-6-4-5-7-13(12)19)22-18(25)11-8-15-17(20-9-11)23(2)10-21-15/h4-10,14,16,24H,3H2,1-2H3,(H,22,25)
InChIKeyDFBOMZAZGRVWJC-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 75499954) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID75499954
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1cnc2c(c1)ncn2C)C(O)c1ccccc1F
InChIInChI=1S/C18H19FN4O2/c1-3-14(16(24)12-6-4-5-7-13(12)19)22-18(25)11-8-15-17(20-9-11)23(2)10-21-15/h4-10,14,16,24H,3H2,1-2H3,(H,22,25)
InChIKeyDFBOMZAZGRVWJC-UHFFFAOYSA-N
XLogP2.35
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 75499954) is N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is CCC(NC(=O)c1cnc2c(c1)ncn2C)C(O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is DFBOMZAZGRVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-3-14(16(24)12-6-4-5-7-13(12)19)22-18(25)11-8-15-17(20-9-11)23(2)10-21-15/h4-10,14,16,24H,3H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75499954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).