5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide

C19H14F3N5O — CID 155482385

IUPAC5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3n[nH]c(C4CC4)c3c2)ncc(C#N)c1C(F)(F)F
InChIInChI=1S/C19H14F3N5O/c1-9-15(19(20,21)22)11(7-23)8-24-16(9)18(28)25-12-4-5-14-13(6-12)17(27-26-14)10-2-3-10/h4-6,8,10H,2-3H2,1H3,(H,25,28)(H,26,27)
InChIKeyUPZPENQPJFIOCO-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.29
Rot. Bonds3

About 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide

5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155482385) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155482385
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3n[nH]c(C4CC4)c3c2)ncc(C#N)c1C(F)(F)F
InChIInChI=1S/C19H14F3N5O/c1-9-15(19(20,21)22)11(7-23)8-24-16(9)18(28)25-12-4-5-14-13(6-12)17(27-26-14)10-2-3-10/h4-6,8,10H,2-3H2,1H3,(H,25,28)(H,26,27)
InChIKeyUPZPENQPJFIOCO-UHFFFAOYSA-N
XLogP4.29
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-2H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 155482160
5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide
CID 155482317
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077623
5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172
N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide
CID 141134406
5-cyano-4-methoxy-3-methyl-N-[3-(1,2-oxazol-4-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482655
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 167611840
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
N-[4-amino-3-[(E)-4,4,4-trifluorobut-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155574887
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167691136
5-cyano-N-[3-(cyclopropanecarboximidoyl)-4-(iodophosphanylamino)phenyl]-3,4-dimethylpyridine-2-carboxamide
CID 155482749
4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 82012764

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide (CID 155482385) is 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc3n[nH]c(C4CC4)c3c2)ncc(C#N)c1C(F)(F)F.
What is the InChIKey of 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UPZPENQPJFIOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-9-15(19(20,21)22)11(7-23)8-24-16(9)18(28)25-12-4-5-14-13(6-12)17(27-26-14)10-2-3-10/h4-6,8,10H,2-3H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide?
5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155482385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).