5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide

C20H16F3N5O — CID 155574915

IUPAC5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3n[nH]c(C4CC4C(F)(F)F)c3c2)c1C
InChIInChI=1S/C20H16F3N5O/c1-9-10(2)17(25-8-11(9)7-24)19(29)26-12-3-4-16-14(5-12)18(28-27-16)13-6-15(13)20(21,22)23/h3-5,8,13,15H,6H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZHBXZLDCPAEZOH-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.36
Rot. Bonds3

About 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide

5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155574915) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID155574915
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3n[nH]c(C4CC4C(F)(F)F)c3c2)c1C
InChIInChI=1S/C20H16F3N5O/c1-9-10(2)17(25-8-11(9)7-24)19(29)26-12-3-4-16-14(5-12)18(28-27-16)13-6-15(13)20(21,22)23/h3-5,8,13,15H,6H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZHBXZLDCPAEZOH-UHFFFAOYSA-N
XLogP4.36
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide (CID 155574915) is 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide is Cc1c(C#N)cnc(C(=O)Nc2ccc3n[nH]c(C4CC4C(F)(F)F)c3c2)c1C.
What is the InChIKey of 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ZHBXZLDCPAEZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-9-10(2)17(25-8-11(9)7-24)19(29)26-12-3-4-16-14(5-12)18(28-27-16)13-6-15(13)20(21,22)23/h3-5,8,13,15H,6H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide?
5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-dimethyl-N-[3-[2-(trifluoromethyl)cyclopropyl]-2H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155574915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).