2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide

C20H25N5O — CID 44549774

IUPAC2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide
SMILESCN(C)CCN(C)Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C20H25N5O/c1-23(2)11-12-24(3)13-15-7-9-17(10-8-15)25-14-16-5-4-6-18(20(21)26)19(16)22-25/h4-10,14H,11-13H2,1-3H3,(H2,21,26)
InChIKeyFKWINWUGGMXISB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.12
Rot. Bonds7

About 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide

2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 44549774) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide
PubChem CID44549774
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide
SMILESCN(C)CCN(C)Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C20H25N5O/c1-23(2)11-12-24(3)13-15-7-9-17(10-8-15)25-14-16-5-4-6-18(20(21)26)19(16)22-25/h4-10,14H,11-13H2,1-3H3,(H2,21,26)
InChIKeyFKWINWUGGMXISB-UHFFFAOYSA-N
XLogP2.12
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide (CID 44549774) is 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide is CN(C)CCN(C)Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is FKWINWUGGMXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-23(2)11-12-24(3)13-15-7-9-17(10-8-15)25-14-16-5-4-6-18(20(21)26)19(16)22-25/h4-10,14H,11-13H2,1-3H3,(H2,21,26).
What are the key properties of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide?
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).