(3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

C24H22F6N8O2 — CID 156539784

IUPAC(3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCC(C)(O)Cn1ccc(-c2ncc(NC(=O)N3C[C@@](C)(C(F)(F)F)c4c3cnc3cc(F)nn43)cc2C(F)F)n1
InChIInChI=1S/C24H22F6N8O2/c1-22(2,40)10-36-5-4-14(34-36)18-13(20(26)27)6-12(8-32-18)33-21(39)37-11-23(3,24(28,29)30)19-15(37)9-31-17-7-16(25)35-38(17)19/h4-9,20,40H,10-11H2,1-3H3,(H,33,39)/t23-/m1/s1
InChIKeyGDBIHJJRBXZLTC-HSZRJFAPSA-N
MW568.48 g/mol
LogP4.71
Rot. Bonds5

About (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

(3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (PubChem CID 156539784) has the molecular formula C24H22F6N8O2 and a molecular weight of 568.48 g/mol. Its IUPAC name is (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID156539784
Molecular FormulaC24H22F6N8O2
Molecular Weight568.48 g/mol
Exact Mass568.18
IUPAC Name(3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCC(C)(O)Cn1ccc(-c2ncc(NC(=O)N3C[C@@](C)(C(F)(F)F)c4c3cnc3cc(F)nn43)cc2C(F)F)n1
InChIInChI=1S/C24H22F6N8O2/c1-22(2,40)10-36-5-4-14(34-36)18-13(20(26)27)6-12(8-32-18)33-21(39)37-11-23(3,24(28,29)30)19-15(37)9-31-17-7-16(25)35-38(17)19/h4-9,20,40H,10-11H2,1-3H3,(H,33,39)/t23-/m1/s1
InChIKeyGDBIHJJRBXZLTC-HSZRJFAPSA-N
XLogP4.71
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The IUPAC name of (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (CID 156539784) is (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.
What is the SMILES notation for (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The canonical SMILES for (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is CC(C)(O)Cn1ccc(-c2ncc(NC(=O)N3C[C@@](C)(C(F)(F)F)c4c3cnc3cc(F)nn43)cc2C(F)F)n1.
What is the InChIKey of (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The InChIKey is GDBIHJJRBXZLTC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22F6N8O2/c1-22(2,40)10-36-5-4-14(34-36)18-13(20(26)27)6-12(8-32-18)33-21(39)37-11-23(3,24(28,29)30)19-15(37)9-31-17-7-16(25)35-38(17)19/h4-9,20,40H,10-11H2,1-3H3,(H,33,39)/t23-/m1/s1.
What are the key properties of (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
(3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide has a molecular weight of 568.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(difluoromethyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is sourced from PubChem (CID 156539784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).