2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide

C18H20N4O — CID 44549902

IUPAC2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide
SMILESCNC(C)(C)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C18H20N4O/c1-18(2,20-3)13-7-9-14(10-8-13)22-11-12-5-4-6-15(17(19)23)16(12)21-22/h4-11,20H,1-3H3,(H2,19,23)
InChIKeyIXUIXFXPEZBBCK-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.58
Rot. Bonds4

About 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide

2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide (PubChem CID 44549902) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide
PubChem CID44549902
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide
SMILESCNC(C)(C)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C18H20N4O/c1-18(2,20-3)13-7-9-14(10-8-13)22-11-12-5-4-6-15(17(19)23)16(12)21-22/h4-11,20H,1-3H3,(H2,19,23)
InChIKeyIXUIXFXPEZBBCK-UHFFFAOYSA-N
XLogP2.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide (CID 44549902) is 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide is CNC(C)(C)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide?
The InChIKey is IXUIXFXPEZBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,20-3)13-7-9-14(10-8-13)22-11-12-5-4-6-15(17(19)23)16(12)21-22/h4-11,20H,1-3H3,(H2,19,23).
What are the key properties of 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide?
2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)propan-2-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).