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

C19H10F3N11O — CID 134609763

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3ccnc4cn[nH]c34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C19H10F3N11O/c20-19(21,22)16-12(8-29-32(16)14-1-2-24-13-9-26-31-15(13)14)18(34)30-11-5-10(6-23)17(25-7-11)33-27-3-4-28-33/h1-5,7-9H,(H,26,31)(H,30,34)
InChIKeyAFCHKQGIDMPHQM-UHFFFAOYSA-N
MW465.36 g/mol
LogP2.26
Rot. Bonds4

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

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609763) has the molecular formula C19H10F3N11O and a molecular weight of 465.36 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609763
Molecular FormulaC19H10F3N11O
Molecular Weight465.36 g/mol
Exact Mass465.10
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3ccnc4cn[nH]c34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C19H10F3N11O/c20-19(21,22)16-12(8-29-32(16)14-1-2-24-13-9-26-31-15(13)14)18(34)30-11-5-10(6-23)17(25-7-11)33-27-3-4-28-33/h1-5,7-9H,(H,26,31)(H,30,34)
InChIKeyAFCHKQGIDMPHQM-UHFFFAOYSA-N
XLogP2.26
TPSA155.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609763) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3ccnc4cn[nH]c34)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AFCHKQGIDMPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N11O/c20-19(21,22)16-12(8-29-32(16)14-1-2-24-13-9-26-31-15(13)14)18(34)30-11-5-10(6-23)17(25-7-11)33-27-3-4-28-33/h1-5,7-9H,(H,26,31)(H,30,34).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 465.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 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-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).