N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide

C19H16F2N6O — CID 135303282

IUPACN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCN(C(=O)c1ncnn1C)c1ccc2cc(-c3ccccc3C(F)F)[nH]c2n1
InChIInChI=1S/C19H16F2N6O/c1-26(19(28)18-22-10-23-27(18)2)15-8-7-11-9-14(24-17(11)25-15)12-5-3-4-6-13(12)16(20)21/h3-10,16H,1-2H3,(H,24,25)
InChIKeyYNEYFRXXNXJYRH-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.57
Rot. Bonds4

About N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide

N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 135303282) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID135303282
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC NameN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCN(C(=O)c1ncnn1C)c1ccc2cc(-c3ccccc3C(F)F)[nH]c2n1
InChIInChI=1S/C19H16F2N6O/c1-26(19(28)18-22-10-23-27(18)2)15-8-7-11-9-14(24-17(11)25-15)12-5-3-4-6-13(12)16(20)21/h3-10,16H,1-2H3,(H,24,25)
InChIKeyYNEYFRXXNXJYRH-UHFFFAOYSA-N
XLogP3.57
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide (CID 135303282) is N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide is CN(C(=O)c1ncnn1C)c1ccc2cc(-c3ccccc3C(F)F)[nH]c2n1.
What is the InChIKey of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YNEYFRXXNXJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-26(19(28)18-22-10-23-27(18)2)15-8-7-11-9-14(24-17(11)25-15)12-5-3-4-6-13(12)16(20)21/h3-10,16H,1-2H3,(H,24,25).
What are the key properties of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide?
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 135303282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).