N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H11F3N10O — CID 134609757

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3nccn4cccc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C20H11F3N10O/c21-20(22,23)16-14(11-29-32(16)18-15-2-1-6-31(15)7-5-25-18)19(34)30-13-8-12(9-24)17(26-10-13)33-27-3-4-28-33/h1-8,10-11H,(H,30,34)
InChIKeyXWALZMBGDHHTCJ-UHFFFAOYSA-N
MW464.37 g/mol
LogP2.64
Rot. Bonds4

About N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609757) has the molecular formula C20H11F3N10O and a molecular weight of 464.37 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609757
Molecular FormulaC20H11F3N10O
Molecular Weight464.37 g/mol
Exact Mass464.11
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3nccn4cccc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C20H11F3N10O/c21-20(22,23)16-14(11-29-32(16)18-15-2-1-6-31(15)7-5-25-18)19(34)30-13-8-12(9-24)17(26-10-13)33-27-3-4-28-33/h1-8,10-11H,(H,30,34)
InChIKeyXWALZMBGDHHTCJ-UHFFFAOYSA-N
XLogP2.64
TPSA131.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 52.64
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-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609757) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3nccn4cccc34)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XWALZMBGDHHTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N10O/c21-20(22,23)16-14(11-29-32(16)18-15-2-1-6-31(15)7-5-25-18)19(34)30-13-8-12(9-24)17(26-10-13)33-27-3-4-28-33/h1-8,10-11H,(H,30,34).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 464.37 g/mol, XLogP of 2.64, 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-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).