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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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).