2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide

C20H21N5O — CID 87362190

IUPAC2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CC5C(N)C5C4)cc3)nc12
InChIInChI=1S/C20H21N5O/c21-18-16-10-24(11-17(16)18)8-12-4-6-14(7-5-12)25-9-13-2-1-3-15(20(22)26)19(13)23-25/h1-7,9,16-18H,8,10-11,21H2,(H2,22,26)
InChIKeyZEQBDJUMFQLSMK-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.51
Rot. Bonds4

About 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide

2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide (PubChem CID 87362190) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide
PubChem CID87362190
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CC5C(N)C5C4)cc3)nc12
InChIInChI=1S/C20H21N5O/c21-18-16-10-24(11-17(16)18)8-12-4-6-14(7-5-12)25-9-13-2-1-3-15(20(22)26)19(13)23-25/h1-7,9,16-18H,8,10-11,21H2,(H2,22,26)
InChIKeyZEQBDJUMFQLSMK-UHFFFAOYSA-N
XLogP1.51
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide (CID 87362190) is 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(CN4CC5C(N)C5C4)cc3)nc12.
What is the InChIKey of 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide?
The InChIKey is ZEQBDJUMFQLSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-18-16-10-24(11-17(16)18)8-12-4-6-14(7-5-12)25-9-13-2-1-3-15(20(22)26)19(13)23-25/h1-7,9,16-18H,8,10-11,21H2,(H2,22,26).
What are the key properties of 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide?
2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 87362190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).