(3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide

C22H23F4N7O2 — CID 176940919

IUPAC(3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCCc1nnc(C23CC(C[C@@H](C)C2)N3C(=O)Nc2cc(-c3ncn(C)n3)c(C(F)(F)F)cc2F)o1
InChIInChI=1S/C22H23F4N7O2/c1-4-17-29-30-19(35-17)21-8-11(2)5-12(9-21)33(21)20(34)28-16-6-13(18-27-10-32(3)31-18)14(7-15(16)23)22(24,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,28,34)/t11-,12?,21?/m1/s1
InChIKeyHQZQTWPWHVQWQP-JRBJCYRMSA-N
MW493.47 g/mol
LogP4.52
Rot. Bonds4

About (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide

(3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 176940919) has the molecular formula C22H23F4N7O2 and a molecular weight of 493.47 g/mol. Its IUPAC name is (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID176940919
Molecular FormulaC22H23F4N7O2
Molecular Weight493.47 g/mol
Exact Mass493.18
IUPAC Name(3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCCc1nnc(C23CC(C[C@@H](C)C2)N3C(=O)Nc2cc(-c3ncn(C)n3)c(C(F)(F)F)cc2F)o1
InChIInChI=1S/C22H23F4N7O2/c1-4-17-29-30-19(35-17)21-8-11(2)5-12(9-21)33(21)20(34)28-16-6-13(18-27-10-32(3)31-18)14(7-15(16)23)22(24,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,28,34)/t11-,12?,21?/m1/s1
InChIKeyHQZQTWPWHVQWQP-JRBJCYRMSA-N
XLogP4.52
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S,5R)-N-[4-chloro-2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940376
(4S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 176940812
(1R,3S,5S)-N-[4-chloro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940820
N-[4-chloro-2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940440
(3R)-N-(4-chloro-2-fluoro-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171511535
(3S)-N-[4-cyano-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940987
(3R,5R)-N-[3-(4-chlorotriazol-2-yl)-4-(trifluoromethyl)phenyl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176677382
(1S,3R,5R)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethyl)-3-[4-(trifluoromethyl)triazol-2-yl]phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176677468
(1S,3S,5R)-N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940828
(1S,3R,5R)-N-[4-chloro-3-(4-fluorotriazol-1-yl)phenyl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176677361
(1S,3R,5R)-N-[4-chloro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-[(cyclopropylmethylamino)methyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941034
(1S,3S,5R)-N-[4-chloro-3-[N'-(methyliminomethyl)carbamimidoyl]phenyl]-3-methyl-1-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940767

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 176940919) is (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide is CCc1nnc(C23CC(C[C@@H](C)C2)N3C(=O)Nc2cc(-c3ncn(C)n3)c(C(F)(F)F)cc2F)o1.
What is the InChIKey of (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is HQZQTWPWHVQWQP-JRBJCYRMSA-N. The full InChI is InChI=1S/C22H23F4N7O2/c1-4-17-29-30-19(35-17)21-8-11(2)5-12(9-21)33(21)20(34)28-16-6-13(18-27-10-32(3)31-18)14(7-15(16)23)22(24,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,28,34)/t11-,12?,21?/m1/s1.
What are the key properties of (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
(3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 493.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[2-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 176940919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).