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

C16H12F2N6O2 — CID 153301358

IUPACN-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccoc3C(F)F)[nH]c2n1
InChIInChI=1S/C16H12F2N6O2/c1-24-15(19-7-20-24)16(25)23-11-3-2-8-6-10(21-14(8)22-11)9-4-5-26-12(9)13(17)18/h2-7,13H,1H3,(H2,21,22,23,25)
InChIKeyLTNTTYTXXMICRM-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.14
Rot. Bonds4

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

N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 153301358) has the molecular formula C16H12F2N6O2 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID153301358
Molecular FormulaC16H12F2N6O2
Molecular Weight358.31 g/mol
Exact Mass358.10
IUPAC NameN-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccoc3C(F)F)[nH]c2n1
InChIInChI=1S/C16H12F2N6O2/c1-24-15(19-7-20-24)16(25)23-11-3-2-8-6-10(21-14(8)22-11)9-4-5-26-12(9)13(17)18/h2-7,13H,1H3,(H2,21,22,23,25)
InChIKeyLTNTTYTXXMICRM-UHFFFAOYSA-N
XLogP3.14
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 153301358) is N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccoc3C(F)F)[nH]c2n1.
What is the InChIKey of N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LTNTTYTXXMICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O2/c1-24-15(19-7-20-24)16(25)23-11-3-2-8-6-10(21-14(8)22-11)9-4-5-26-12(9)13(17)18/h2-7,13H,1H3,(H2,21,22,23,25).
What are the key properties of N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 358.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 153301358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).