7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole

C21H23ClFN3 — CID 162718456

IUPAC7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole
SMILESCCN1CC[C@@H](c2ccc(-c3cc(C)c4cn[nH]c4c3Cl)cc2)[C@H](F)C1
InChIInChI=1S/C21H23ClFN3/c1-3-26-9-8-16(19(23)12-26)14-4-6-15(7-5-14)17-10-13(2)18-11-24-25-21(18)20(17)22/h4-7,10-11,16,19H,3,8-9,12H2,1-2H3,(H,24,25)/t16-,19+/m0/s1
InChIKeyXPGJFZOXCWOHSA-QFBILLFUSA-N
MW371.89 g/mol
LogP5.34
Rot. Bonds3

About 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole

7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole (PubChem CID 162718456) has the molecular formula C21H23ClFN3 and a molecular weight of 371.89 g/mol. Its IUPAC name is 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole.

Molecular Properties

Compound Name7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole
PubChem CID162718456
Molecular FormulaC21H23ClFN3
Molecular Weight371.89 g/mol
Exact Mass371.16
IUPAC Name7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole
SMILESCCN1CC[C@@H](c2ccc(-c3cc(C)c4cn[nH]c4c3Cl)cc2)[C@H](F)C1
InChIInChI=1S/C21H23ClFN3/c1-3-26-9-8-16(19(23)12-26)14-4-6-15(7-5-14)17-10-13(2)18-11-24-25-21(18)20(17)22/h4-7,10-11,16,19H,3,8-9,12H2,1-2H3,(H,24,25)/t16-,19+/m0/s1
InChIKeyXPGJFZOXCWOHSA-QFBILLFUSA-N
XLogP5.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol
CID 162718521
4,7-dichloro-6-[4-(2-ethyl-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]-1H-indazole
CID 175866066
(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine
CID 68549689
2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 142594305
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
CID 129373468
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
2-[4,7-dichloro-6-[4-[(3R,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155413455
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60857021
[4-[(3S,4S)-1-ethyl-3-hydroxypiperidin-4-yl]phenyl]boronic acid
CID 170671016
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole?
The IUPAC name of 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole (CID 162718456) is 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole.
What is the SMILES notation for 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole?
The canonical SMILES for 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole is CCN1CC[C@@H](c2ccc(-c3cc(C)c4cn[nH]c4c3Cl)cc2)[C@H](F)C1.
What is the InChIKey of 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole?
The InChIKey is XPGJFZOXCWOHSA-QFBILLFUSA-N. The full InChI is InChI=1S/C21H23ClFN3/c1-3-26-9-8-16(19(23)12-26)14-4-6-15(7-5-14)17-10-13(2)18-11-24-25-21(18)20(17)22/h4-7,10-11,16,19H,3,8-9,12H2,1-2H3,(H,24,25)/t16-,19+/m0/s1.
What are the key properties of 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole?
7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole has a molecular weight of 371.89 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[4-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methyl-1H-indazole is sourced from PubChem (CID 162718456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).