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

C24H26N6O — CID 171446161

IUPAC5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc5ccnc(N)c5c4)cc23)CC1
InChIInChI=1S/C24H26N6O/c1-30-10-7-15(8-11-30)14-27-24(31)22-20-13-18(4-5-21(20)28-29-22)17-3-2-16-6-9-26-23(25)19(16)12-17/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H2,25,26)(H,27,31)(H,28,29)
InChIKeyBPOKQGUQQNGFFI-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.43
Rot. Bonds4

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

5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide (PubChem CID 171446161) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
PubChem CID171446161
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc5ccnc(N)c5c4)cc23)CC1
InChIInChI=1S/C24H26N6O/c1-30-10-7-15(8-11-30)14-27-24(31)22-20-13-18(4-5-21(20)28-29-22)17-3-2-16-6-9-26-23(25)19(16)12-17/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H2,25,26)(H,27,31)(H,28,29)
InChIKeyBPOKQGUQQNGFFI-UHFFFAOYSA-N
XLogP3.43
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.43
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-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
CID 171446247
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382047
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382515
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382362
6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 172553823

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide (CID 171446161) is 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide is CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc5ccnc(N)c5c4)cc23)CC1.
What is the InChIKey of 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is BPOKQGUQQNGFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-30-10-7-15(8-11-30)14-27-24(31)22-20-13-18(4-5-21(20)28-29-22)17-3-2-16-6-9-26-23(25)19(16)12-17/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H2,25,26)(H,27,31)(H,28,29).
What are the key properties of 5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide?
5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.43, 4 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)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 171446161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).