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

C21H26N4O — CID 176571066

IUPACethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESCC.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIInChI=1S/C19H20N4O.C2H6/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;1-2/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1-2H3/t14-;/m1./s1
InChIKeyDATHWSCJXMNBDA-PFEQFJNWSA-N
MW350.47 g/mol
LogP3.62
Rot. Bonds3

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

ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 176571066) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Nameethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID176571066
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Nameethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESCC.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIInChI=1S/C19H20N4O.C2H6/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;1-2/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1-2H3/t14-;/m1./s1
InChIKeyDATHWSCJXMNBDA-PFEQFJNWSA-N
XLogP3.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588359
2-(4-cyclohexylphenyl)indazole-7-carboxamide
CID 129198392
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
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-(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)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 166999995
[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine
CID 154931621

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide (CID 176571066) is ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide is CC.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.
What is the InChIKey of ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is DATHWSCJXMNBDA-PFEQFJNWSA-N. The full InChI is InChI=1S/C19H20N4O.C2H6/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;1-2/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1-2H3/t14-;/m1./s1.
What are the key properties of ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 176571066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).