N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide

C22H17FN4O2 — CID 138609181

IUPACN-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc4ccncc4[nH]3)cc2)COC1
InChIInChI=1S/C22H17FN4O2/c23-16-5-7-17(8-6-16)25-21(28)22(12-29-13-22)15-3-1-14(2-4-15)20-26-18-9-10-24-11-19(18)27-20/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyKUWGFECEKUJBIV-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.67
Rot. Bonds4

About N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide

N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide (PubChem CID 138609181) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
PubChem CID138609181
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc4ccncc4[nH]3)cc2)COC1
InChIInChI=1S/C22H17FN4O2/c23-16-5-7-17(8-6-16)25-21(28)22(12-29-13-22)15-3-1-14(2-4-15)20-26-18-9-10-24-11-19(18)27-20/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyKUWGFECEKUJBIV-UHFFFAOYSA-N
XLogP3.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609161
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)anilino]ethanol
CID 63268630
4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid
CID 71213014
5-chloro-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]thiophene-3-carboxamide
CID 155963164
N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609199
3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138631252
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
CID 119854454
(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide
CID 55729057
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167313683

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide (CID 138609181) is N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc4ccncc4[nH]3)cc2)COC1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide?
The InChIKey is KUWGFECEKUJBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-5-7-17(8-6-16)25-21(28)22(12-29-13-22)15-3-1-14(2-4-15)20-26-18-9-10-24-11-19(18)27-20/h1-11H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide?
N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide is sourced from PubChem (CID 138609181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).