5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride

C19H18ClF4N3 — CID 14032601

IUPAC5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride
SMILESCl.Fc1ccc2c(c1)c(C1CCNCC1)nn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F4N3.ClH/c20-14-3-6-17-16(11-14)18(12-7-9-24-10-8-12)25-26(17)15-4-1-13(2-5-15)19(21,22)23;/h1-6,11-12,24H,7-10H2;1H
InChIKeyCDFTVPWBRYVRIW-UHFFFAOYSA-N
MW399.82 g/mol
LogP5.07
Rot. Bonds2

About 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride

5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride (PubChem CID 14032601) has the molecular formula C19H18ClF4N3 and a molecular weight of 399.82 g/mol. Its IUPAC name is 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride
PubChem CID14032601
Molecular FormulaC19H18ClF4N3
Molecular Weight399.82 g/mol
Exact Mass399.11
IUPAC Name5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride
SMILESCl.Fc1ccc2c(c1)c(C1CCNCC1)nn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F4N3.ClH/c20-14-3-6-17-16(11-14)18(12-7-9-24-10-8-12)25-26(17)15-4-1-13(2-5-15)19(21,22)23;/h1-6,11-12,24H,7-10H2;1H
InChIKeyCDFTVPWBRYVRIW-UHFFFAOYSA-N
XLogP5.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
CID 118167040
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5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
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1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride
CID 175447146
4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide
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1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone
CID 22370275
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 91567280
1-(2-chlorophenyl)-3-piperidin-4-ylindazole
CID 14032597
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
1-piperidin-4-yl-5-(trifluoromethyl)benzotriazole;hydrate;hydrochloride
CID 53444633
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride?
The IUPAC name of 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride (CID 14032601) is 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride.
What is the SMILES notation for 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride?
The canonical SMILES for 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride is Cl.Fc1ccc2c(c1)c(C1CCNCC1)nn2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride?
The InChIKey is CDFTVPWBRYVRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3.ClH/c20-14-3-6-17-16(11-14)18(12-7-9-24-10-8-12)25-26(17)15-4-1-13(2-5-15)19(21,22)23;/h1-6,11-12,24H,7-10H2;1H.
What are the key properties of 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride?
5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride has a molecular weight of 399.82 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride is sourced from PubChem (CID 14032601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).