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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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).