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5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

C23H24N6O — CID 171446132

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4ccc5ccnc(N)c5c4)cc23)CC1
InChIInChI=1S/C23H24N6O/c1-29-10-7-17(8-11-29)26-23(30)21-19-13-16(4-5-20(19)27-28-21)15-3-2-14-6-9-25-22(24)18(14)12-15/h2-6,9,12-13,17H,7-8,10-11H2,1H3,(H2,24,25)(H,26,30)(H,27,28)
InChIKeyWATQAGQDLZFZRN-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.18
Rot. Bonds3

About 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 171446132) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID171446132
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4ccc5ccnc(N)c5c4)cc23)CC1
InChIInChI=1S/C23H24N6O/c1-29-10-7-17(8-11-29)26-23(30)21-19-13-16(4-5-20(19)27-28-21)15-3-2-14-6-9-25-22(24)18(14)12-15/h2-6,9,12-13,17H,7-8,10-11H2,1H3,(H2,24,25)(H,26,30)(H,27,28)
InChIKeyWATQAGQDLZFZRN-UHFFFAOYSA-N
XLogP3.18
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 171446132) is 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4ccc5ccnc(N)c5c4)cc23)CC1.
What is the InChIKey of 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is WATQAGQDLZFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-29-10-7-17(8-11-29)26-23(30)21-19-13-16(4-5-20(19)27-28-21)15-3-2-14-6-9-25-22(24)18(14)12-15/h2-6,9,12-13,17H,7-8,10-11H2,1H3,(H2,24,25)(H,26,30)(H,27,28).
What are the key properties of 5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.18, 3 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-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 171446132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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