(3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

C18H15Cl2F3N6O2 — CID 156539323

IUPAC(3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCOCc1ncc(NC(=O)N2C[C@@](C)(C(F)(F)F)c3c2cnc2cc(Cl)nn32)cc1Cl
InChIInChI=1S/C18H15Cl2F3N6O2/c1-17(18(21,22)23)8-28(12-6-25-14-4-13(20)27-29(14)15(12)17)16(30)26-9-3-10(19)11(7-31-2)24-5-9/h3-6H,7-8H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeyUYMLFGOTNMUKSQ-QGZVFWFLSA-N
MW475.26 g/mol
LogP4.45
Rot. Bonds3

About (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

(3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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 156539323) has the molecular formula C18H15Cl2F3N6O2 and a molecular weight of 475.26 g/mol. Its IUPAC name is (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID156539323
Molecular FormulaC18H15Cl2F3N6O2
Molecular Weight475.26 g/mol
Exact Mass474.06
IUPAC Name(3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCOCc1ncc(NC(=O)N2C[C@@](C)(C(F)(F)F)c3c2cnc2cc(Cl)nn32)cc1Cl
InChIInChI=1S/C18H15Cl2F3N6O2/c1-17(18(21,22)23)8-28(12-6-25-14-4-13(20)27-29(14)15(12)17)16(30)26-9-3-10(19)11(7-31-2)24-5-9/h3-6H,7-8H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeyUYMLFGOTNMUKSQ-QGZVFWFLSA-N
XLogP4.45
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (CID 156539323) is (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is COCc1ncc(NC(=O)N2C[C@@](C)(C(F)(F)F)c3c2cnc2cc(Cl)nn32)cc1Cl.
What is the InChIKey of (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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 UYMLFGOTNMUKSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15Cl2F3N6O2/c1-17(18(21,22)23)8-28(12-6-25-14-4-13(20)27-29(14)15(12)17)16(30)26-9-3-10(19)11(7-31-2)24-5-9/h3-6H,7-8H2,1-2H3,(H,26,30)/t17-/m1/s1.
What are the key properties of (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
(3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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 475.26 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-11-chloro-N-[5-chloro-6-(methoxymethyl)-3-pyridinyl]-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 156539323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).