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

C22H23F3N6O3 — CID 26745045

IUPAC(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C22H23F3N6O3/c23-22(24,25)33-15-8-6-13(7-9-15)19-29-20(34-30-19)18-10-16-17(27-12-26-16)11-31(18)21(32)28-14-4-2-1-3-5-14/h6-9,12,14,18H,1-5,10-11H2,(H,26,27)(H,28,32)/t18-/m0/s1
InChIKeyGRTOIPGSLMEDNY-SFHVURJKSA-N
MW476.46 g/mol
LogP4.50
Rot. Bonds4

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

(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 26745045) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID26745045
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C22H23F3N6O3/c23-22(24,25)33-15-8-6-13(7-9-15)19-29-20(34-30-19)18-10-16-17(27-12-26-16)11-31(18)21(32)28-14-4-2-1-3-5-14/h6-9,12,14,18H,1-5,10-11H2,(H,26,27)(H,28,32)/t18-/m0/s1
InChIKeyGRTOIPGSLMEDNY-SFHVURJKSA-N
XLogP4.50
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507741
(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507740
2-[2-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]sulfanylacetic acid
CID 74507752
[(6S)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 26745126
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 74507745
N-(4-methylphenyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507714
(6S)-N-phenyl-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745091
(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745062
(6S)-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 28961098
(6S)-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26761982
2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid
CID 38344332

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 26745045) is (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)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-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is GRTOIPGSLMEDNY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c23-22(24,25)33-15-8-6-13(7-9-15)19-29-20(34-30-19)18-10-16-17(27-12-26-16)11-31(18)21(32)28-14-4-2-1-3-5-14/h6-9,12,14,18H,1-5,10-11H2,(H,26,27)(H,28,32)/t18-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 26745045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).