5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide

C19H18F3N5O — CID 118382105

IUPAC5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC1CN(CC(F)(F)F)C1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)11-27-9-12(10-27)7-24-18(28)17-15-6-13(3-4-16(15)25-26-17)14-2-1-5-23-8-14/h1-6,8,12H,7,9-11H2,(H,24,28)(H,25,26)
InChIKeyWKZPZYIEPUOGFC-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.85
Rot. Bonds5

About 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide

5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 118382105) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID118382105
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC1CN(CC(F)(F)F)C1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)11-27-9-12(10-27)7-24-18(28)17-15-6-13(3-4-16(15)25-26-17)14-2-1-5-23-8-14/h1-6,8,12H,7,9-11H2,(H,24,28)(H,25,26)
InChIKeyWKZPZYIEPUOGFC-UHFFFAOYSA-N
XLogP2.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382047
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381227
N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 174835213
N-[(2R)-2-phenylcyclopropyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118390891
N-(2,3-dihydropyrazin-2-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89451247
N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381215
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
N-(6-piperidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450862
N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 166774202
5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide
CID 171446035

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide (CID 118382105) is 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide is O=C(NCC1CN(CC(F)(F)F)C1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is WKZPZYIEPUOGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)11-27-9-12(10-27)7-24-18(28)17-15-6-13(3-4-16(15)25-26-17)14-2-1-5-23-8-14/h1-6,8,12H,7,9-11H2,(H,24,28)(H,25,26).
What are the key properties of 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide?
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).