N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C36H25ClF6N12O2 — CID 158237688

IUPACN-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3cc(F)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2n1
InChIInChI=1S/C18H12ClF3N6O.C18H13F3N6O/c1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22;1-27-17(22-8-23-27)18(28)26-14-5-2-9-6-13(24-16(9)25-14)12-7-10(19)3-4-11(12)15(20)21/h2-7,15H,1H3,(H2,25,26,27,29);2-8,15H,1H3,(H2,24,25,26,28)
InChIKeyGFDYTDLLZBJDPE-UHFFFAOYSA-N
MW807.12 g/mol
LogP8.03
Rot. Bonds8

About N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 158237688) has the molecular formula C36H25ClF6N12O2 and a molecular weight of 807.12 g/mol. Its IUPAC name is N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID158237688
Molecular FormulaC36H25ClF6N12O2
Molecular Weight807.12 g/mol
Exact Mass806.18
IUPAC NameN-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3cc(F)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2n1
InChIInChI=1S/C18H12ClF3N6O.C18H13F3N6O/c1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22;1-27-17(22-8-23-27)18(28)26-14-5-2-9-6-13(24-16(9)25-14)12-7-10(19)3-4-11(12)15(20)21/h2-7,15H,1H3,(H2,25,26,27,29);2-8,15H,1H3,(H2,24,25,26,28)
InChIKeyGFDYTDLLZBJDPE-UHFFFAOYSA-N
XLogP8.03
TPSA176.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.12
LogP ≤ 58.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-[2-[2,5-bis(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135289793
4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
CID 135289800
N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135296655
N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135303159
2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
CID 135303163
N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135303164
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 135303184
N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135303190
2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
CID 135303198
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135303200
N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135303202
N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135303204

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 158237688) is N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3cc(F)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2n1.
What is the InChIKey of N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GFDYTDLLZBJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N6O.C18H13F3N6O/c1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22;1-27-17(22-8-23-27)18(28)26-14-5-2-9-6-13(24-16(9)25-14)12-7-10(19)3-4-11(12)15(20)21/h2-7,15H,1H3,(H2,25,26,27,29);2-8,15H,1H3,(H2,24,25,26,28).
What are the key properties of N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 807.12 g/mol, XLogP of 8.03, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158237688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).