4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

C17H18N4O2 — CID 46226399

IUPAC4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3c(OC)ccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C17H18N4O2/c1-19-9-11-3-5-12(6-4-11)21-10-14-15(23-2)8-7-13(17(18)22)16(14)20-21/h3-8,10,19H,9H2,1-2H3,(H2,18,22)
InChIKeyRLOFHAKUFMEBTC-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.85
Rot. Bonds5

About 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226399) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID46226399
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3c(OC)ccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C17H18N4O2/c1-19-9-11-3-5-12(6-4-11)21-10-14-15(23-2)8-7-13(17(18)22)16(14)20-21/h3-8,10,19H,9H2,1-2H3,(H2,18,22)
InChIKeyRLOFHAKUFMEBTC-UHFFFAOYSA-N
XLogP1.85
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
10-(2-Aminoethylamino)-14-[(2-aminoethylamino)methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 9977071
2-(3-methoxy-4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226375
2-(3-hydroxy-4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226376
1-(3-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884949
N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529422
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 3465979
N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45268412
4-hydroxy-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 135971442
7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 155550171
7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 155553534
2-[4-[8-(Hydroxyamino)-8-oxooctoxy]phenyl]indazole-7-carboxamide
CID 168273233

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 46226399) is 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3c(OC)ccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is RLOFHAKUFMEBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-19-9-11-3-5-12(6-4-11)21-10-14-15(23-2)8-7-13(17(18)22)16(14)20-21/h3-8,10,19H,9H2,1-2H3,(H2,18,22).
What are the key properties of 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).