5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide

C21H22N6O — CID 171446247

IUPAC5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1n[nH]c2ccc(-c3ccc4ccnc(N)c4c3)cc12
InChIInChI=1S/C21H22N6O/c1-27(2)10-9-24-21(28)19-17-12-15(5-6-18(17)25-26-19)14-4-3-13-7-8-23-20(22)16(13)11-14/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23)(H,24,28)(H,25,26)
InChIKeyJMTRSTNBJWRUOV-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.65
Rot. Bonds5

About 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide

5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide (PubChem CID 171446247) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
PubChem CID171446247
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1n[nH]c2ccc(-c3ccc4ccnc(N)c4c3)cc12
InChIInChI=1S/C21H22N6O/c1-27(2)10-9-24-21(28)19-17-12-15(5-6-18(17)25-26-19)14-4-3-13-7-8-23-20(22)16(13)11-14/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23)(H,24,28)(H,25,26)
InChIKeyJMTRSTNBJWRUOV-UHFFFAOYSA-N
XLogP2.65
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 171446132
5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide
CID 171446035
5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 171446161
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 170351912
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68602035
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
3-[6-amino-5-(2-methylsulfanylpyrimidin-4-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238249
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
CID 86759764

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide (CID 171446247) is 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide is CN(C)CCNC(=O)c1n[nH]c2ccc(-c3ccc4ccnc(N)c4c3)cc12.
What is the InChIKey of 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is JMTRSTNBJWRUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-27(2)10-9-24-21(28)19-17-12-15(5-6-18(17)25-26-19)14-4-3-13-7-8-23-20(22)16(13)11-14/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23)(H,24,28)(H,25,26).
What are the key properties of 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 171446247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).