N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H10F3N9O2 — CID 134609913

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3nccc4ccoc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C20H10F3N9O2/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)
InChIKeyFGUAEJJVRKWLPB-UHFFFAOYSA-N
MW465.36 g/mol
LogP3.13
Rot. Bonds4

About N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609913) has the molecular formula C20H10F3N9O2 and a molecular weight of 465.36 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609913
Molecular FormulaC20H10F3N9O2
Molecular Weight465.36 g/mol
Exact Mass465.09
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3nccc4ccoc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C20H10F3N9O2/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)
InChIKeyFGUAEJJVRKWLPB-UHFFFAOYSA-N
XLogP3.13
TPSA140.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609913) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3nccc4ccoc34)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FGUAEJJVRKWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N9O2/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 465.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-furo[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).