7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide

C18H19FN4OS — CID 150404614

IUPAC7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide
SMILESCSCC(C)(C)NC(=O)c1ccc(F)c2nn(-c3cccnc3)cc12
InChIInChI=1S/C18H19FN4OS/c1-18(2,11-25-3)21-17(24)13-6-7-15(19)16-14(13)10-23(22-16)12-5-4-8-20-9-12/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyHEMGBDXIEAZWNH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.43
Rot. Bonds5

About 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide

7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide (PubChem CID 150404614) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide
PubChem CID150404614
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide
SMILESCSCC(C)(C)NC(=O)c1ccc(F)c2nn(-c3cccnc3)cc12
InChIInChI=1S/C18H19FN4OS/c1-18(2,11-25-3)21-17(24)13-6-7-15(19)16-14(13)10-23(22-16)12-5-4-8-20-9-12/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyHEMGBDXIEAZWNH-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide (CID 150404614) is 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide is CSCC(C)(C)NC(=O)c1ccc(F)c2nn(-c3cccnc3)cc12.
What is the InChIKey of 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide?
The InChIKey is HEMGBDXIEAZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-18(2,11-25-3)21-17(24)13-6-7-15(19)16-14(13)10-23(22-16)12-5-4-8-20-9-12/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide?
7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-pyridin-3-ylindazole-4-carboxamide is sourced from PubChem (CID 150404614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).