2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid

C22H23F3N4O3 — CID 118451760

IUPAC2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O=C(O)CC(F)(F)F
InChIInChI=1S/C19H20N4O.C3H3F3O2/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;4-3(5,6)1-2(7)8/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1H2,(H,7,8)/t14-;/m1./s1
InChIKeyUVVGIZVORWCLLX-PFEQFJNWSA-N
MW448.45 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid

2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid (PubChem CID 118451760) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
PubChem CID118451760
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O=C(O)CC(F)(F)F
InChIInChI=1S/C19H20N4O.C3H3F3O2/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;4-3(5,6)1-2(7)8/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1H2,(H,7,8)/t14-;/m1./s1
InChIKeyUVVGIZVORWCLLX-PFEQFJNWSA-N
XLogP3.61
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;trifluoromethyl acetate
CID 159354523
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588348
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588459
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588359
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
2-(4-cyclohexylphenyl)indazole-7-carboxamide
CID 129198392
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-[(3S)-2-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-2-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3S)-5-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-5-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3S)-6-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-6-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(6-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-fluoropiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 160632313
2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 161044124
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928955
2-aminoacetic acid;(3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylic acid
CID 170171391

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid (CID 118451760) is 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid is NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O=C(O)CC(F)(F)F.
What is the InChIKey of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid?
The InChIKey is UVVGIZVORWCLLX-PFEQFJNWSA-N. The full InChI is InChI=1S/C19H20N4O.C3H3F3O2/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;4-3(5,6)1-2(7)8/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1H2,(H,7,8)/t14-;/m1./s1.
What are the key properties of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid?
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid has a molecular weight of 448.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 118451760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).