(3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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

C17H11Cl2F5N6O2 — CID 156539815

IUPAC(3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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
SMILESC[C@@]1(C(F)(F)F)CN(C(=O)Nc2cc(Cl)c(=O)n(C(F)F)c2)c2cnc3cc(Cl)nn3c21
InChIInChI=1S/C17H11Cl2F5N6O2/c1-16(17(22,23)24)6-29(9-4-25-11-3-10(19)27-30(11)12(9)16)15(32)26-7-2-8(18)13(31)28(5-7)14(20)21/h2-5,14H,6H2,1H3,(H,26,32)/t16-/m1/s1
InChIKeyOGYYUJWKCJAIGP-MRXNPFEDSA-N
MW497.21 g/mol
LogP4.47
Rot. Bonds2

About (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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-1-(difluoromethyl)-6-oxo-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 156539815) has the molecular formula C17H11Cl2F5N6O2 and a molecular weight of 497.21 g/mol. Its IUPAC name is (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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-1-(difluoromethyl)-6-oxo-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 CID156539815
Molecular FormulaC17H11Cl2F5N6O2
Molecular Weight497.21 g/mol
Exact Mass496.02
IUPAC Name(3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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
SMILESC[C@@]1(C(F)(F)F)CN(C(=O)Nc2cc(Cl)c(=O)n(C(F)F)c2)c2cnc3cc(Cl)nn3c21
InChIInChI=1S/C17H11Cl2F5N6O2/c1-16(17(22,23)24)6-29(9-4-25-11-3-10(19)27-30(11)12(9)16)15(32)26-7-2-8(18)13(31)28(5-7)14(20)21/h2-5,14H,6H2,1H3,(H,26,32)/t16-/m1/s1
InChIKeyOGYYUJWKCJAIGP-MRXNPFEDSA-N
XLogP4.47
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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-1-(difluoromethyl)-6-oxo-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 156539815) is (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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-1-(difluoromethyl)-6-oxo-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-1-(difluoromethyl)-6-oxo-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 C[C@@]1(C(F)(F)F)CN(C(=O)Nc2cc(Cl)c(=O)n(C(F)F)c2)c2cnc3cc(Cl)nn3c21.
What is the InChIKey of (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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 OGYYUJWKCJAIGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11Cl2F5N6O2/c1-16(17(22,23)24)6-29(9-4-25-11-3-10(19)27-30(11)12(9)16)15(32)26-7-2-8(18)13(31)28(5-7)14(20)21/h2-5,14H,6H2,1H3,(H,26,32)/t16-/m1/s1.
What are the key properties of (3R)-11-chloro-N-[5-chloro-1-(difluoromethyl)-6-oxo-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-1-(difluoromethyl)-6-oxo-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 497.21 g/mol, XLogP of 4.47, 2 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-1-(difluoromethyl)-6-oxo-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 156539815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).