(6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C22H16F4N6O2 — CID 26745013

IUPAC(6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C22H16F4N6O2/c23-14-2-1-3-15(8-14)29-21(33)32-10-17-16(27-11-28-17)9-18(32)20-30-19(31-34-20)12-4-6-13(7-5-12)22(24,25)26/h1-8,11,18H,9-10H2,(H,27,28)(H,29,33)/t18-/m0/s1
InChIKeyIOKNCXCHGBJBQO-SFHVURJKSA-N
MW472.40 g/mol
LogP4.95
Rot. Bonds3

About (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

(6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 26745013) has the molecular formula C22H16F4N6O2 and a molecular weight of 472.40 g/mol. Its IUPAC name is (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID26745013
Molecular FormulaC22H16F4N6O2
Molecular Weight472.40 g/mol
Exact Mass472.13
IUPAC Name(6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C22H16F4N6O2/c23-14-2-1-3-15(8-14)29-21(33)32-10-17-16(27-11-28-17)9-18(32)20-30-19(31-34-20)12-4-6-13(7-5-12)22(24,25)26/h1-8,11,18H,9-10H2,(H,27,28)(H,29,33)/t18-/m0/s1
InChIKeyIOKNCXCHGBJBQO-SFHVURJKSA-N
XLogP4.95
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 26745013) is (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is IOKNCXCHGBJBQO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H16F4N6O2/c23-14-2-1-3-15(8-14)29-21(33)32-10-17-16(27-11-28-17)9-18(32)20-30-19(31-34-20)12-4-6-13(7-5-12)22(24,25)26/h1-8,11,18H,9-10H2,(H,27,28)(H,29,33)/t18-/m0/s1.
What are the key properties of (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
(6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 472.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-fluorophenyl)-6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 26745013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).