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

C20H17ClF4N6O2 — CID 176677514

IUPAC(3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1nnc(C23CC(C[C@@H](C(F)(F)F)C2)N3C(=O)Nc2ccc(Cl)c(-n3ccc(F)n3)c2)o1
InChIInChI=1S/C20H17ClF4N6O2/c1-10-27-28-17(33-10)19-8-11(20(23,24)25)6-13(9-19)31(19)18(32)26-12-2-3-14(21)15(7-12)30-5-4-16(22)29-30/h2-5,7,11,13H,6,8-9H2,1H3,(H,26,32)/t11-,13?,19?/m1/s1
InChIKeyOZQWCNWZPXWYPW-CQPICDMCSA-N
MW484.84 g/mol
LogP4.83
Rot. Bonds3

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

(3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 176677514) has the molecular formula C20H17ClF4N6O2 and a molecular weight of 484.84 g/mol. Its IUPAC name is (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID176677514
Molecular FormulaC20H17ClF4N6O2
Molecular Weight484.84 g/mol
Exact Mass484.10
IUPAC Name(3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1nnc(C23CC(C[C@@H](C(F)(F)F)C2)N3C(=O)Nc2ccc(Cl)c(-n3ccc(F)n3)c2)o1
InChIInChI=1S/C20H17ClF4N6O2/c1-10-27-28-17(33-10)19-8-11(20(23,24)25)6-13(9-19)31(19)18(32)26-12-2-3-14(21)15(7-12)30-5-4-16(22)29-30/h2-5,7,11,13H,6,8-9H2,1H3,(H,26,32)/t11-,13?,19?/m1/s1
InChIKeyOZQWCNWZPXWYPW-CQPICDMCSA-N
XLogP4.83
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 176677514) is (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide is Cc1nnc(C23CC(C[C@@H](C(F)(F)F)C2)N3C(=O)Nc2ccc(Cl)c(-n3ccc(F)n3)c2)o1.
What is the InChIKey of (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is OZQWCNWZPXWYPW-CQPICDMCSA-N. The full InChI is InChI=1S/C20H17ClF4N6O2/c1-10-27-28-17(33-10)19-8-11(20(23,24)25)6-13(9-19)31(19)18(32)26-12-2-3-14(21)15(7-12)30-5-4-16(22)29-30/h2-5,7,11,13H,6,8-9H2,1H3,(H,26,32)/t11-,13?,19?/m1/s1.
What are the key properties of (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
(3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 484.84 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-chloro-3-(3-fluoropyrazol-1-yl)phenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 176677514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).