5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride

C17H17ClFN5S — CID 169221314

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
SMILESCl.Cn1cc2cc(-c3cc4cn([C@H]5CCNC5)nc4s3)cc(F)c2n1
InChIInChI=1S/C17H16FN5S.ClH/c1-22-8-11-4-10(5-14(18)16(11)20-22)15-6-12-9-23(21-17(12)24-15)13-2-3-19-7-13;/h4-6,8-9,13,19H,2-3,7H2,1H3;1H/t13-;/m0./s1
InChIKeyIHLJPMPQZIMOQA-ZOWNYOTGSA-N
MW377.88 g/mol
LogP3.75
Rot. Bonds2

About 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride

5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride (PubChem CID 169221314) has the molecular formula C17H17ClFN5S and a molecular weight of 377.88 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
PubChem CID169221314
Molecular FormulaC17H17ClFN5S
Molecular Weight377.88 g/mol
Exact Mass377.09
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
SMILESCl.Cn1cc2cc(-c3cc4cn([C@H]5CCNC5)nc4s3)cc(F)c2n1
InChIInChI=1S/C17H16FN5S.ClH/c1-22-8-11-4-10(5-14(18)16(11)20-22)15-6-12-9-23(21-17(12)24-15)13-2-3-19-7-13;/h4-6,8-9,13,19H,2-3,7H2,1H3;1H/t13-;/m0./s1
InChIKeyIHLJPMPQZIMOQA-ZOWNYOTGSA-N
XLogP3.75
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162432938
5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
CID 153383156
2-(3,6-dihydro-2H-pyran-4-yl)-5-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-c]pyrazole
CID 162433078
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 153382993
N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine
CID 167867635
7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
CID 168979240
2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 175623672
5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole
CID 168979373
4-fluoro-6-[7-(1-fluoroethyl)-2-methylindazol-5-yl]-2-piperidin-4-ylbenzotriazole
CID 170593676
5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
CID 137357468
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride (CID 169221314) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride is Cl.Cn1cc2cc(-c3cc4cn([C@H]5CCNC5)nc4s3)cc(F)c2n1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride?
The InChIKey is IHLJPMPQZIMOQA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C17H16FN5S.ClH/c1-22-8-11-4-10(5-14(18)16(11)20-22)15-6-12-9-23(21-17(12)24-15)13-2-3-19-7-13;/h4-6,8-9,13,19H,2-3,7H2,1H3;1H/t13-;/m0./s1.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride?
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride is sourced from PubChem (CID 169221314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).