2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide

C20H21FN4O2 — CID 153322934

IUPAC2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(Cc1nc2ccncc2n1-c1ccc(F)cc1)NCC1CCOCC1
InChIInChI=1S/C20H21FN4O2/c21-15-1-3-16(4-2-15)25-18-13-22-8-5-17(18)24-19(25)11-20(26)23-12-14-6-9-27-10-7-14/h1-5,8,13-14H,6-7,9-12H2,(H,23,26)
InChIKeyWGRUXJNNQPHLDS-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide

2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 153322934) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID153322934
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(Cc1nc2ccncc2n1-c1ccc(F)cc1)NCC1CCOCC1
InChIInChI=1S/C20H21FN4O2/c21-15-1-3-16(4-2-15)25-18-13-22-8-5-17(18)24-19(25)11-20(26)23-12-14-6-9-27-10-7-14/h1-5,8,13-14H,6-7,9-12H2,(H,23,26)
InChIKeyWGRUXJNNQPHLDS-UHFFFAOYSA-N
XLogP2.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide (CID 153322934) is 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide is O=C(Cc1nc2ccncc2n1-c1ccc(F)cc1)NCC1CCOCC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is WGRUXJNNQPHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-15-1-3-16(4-2-15)25-18-13-22-8-5-17(18)24-19(25)11-20(26)23-12-14-6-9-27-10-7-14/h1-5,8,13-14H,6-7,9-12H2,(H,23,26).
What are the key properties of 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 153322934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).