2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide

C34H30N6O — CID 159286132

IUPAC2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc2ccc(N)cc2[nH]1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C19H16N4O.C15H14N2/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16;1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h2-11,22H,1H3,(H,20,23)(H,21,24);2-9,17H,16H2,1H3
InChIKeyKZNLKUBWNUAGCA-UHFFFAOYSA-N
MW538.66 g/mol
LogP7.84
Rot. Bonds4

About 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide

2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide (PubChem CID 159286132) has the molecular formula C34H30N6O and a molecular weight of 538.66 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
PubChem CID159286132
Molecular FormulaC34H30N6O
Molecular Weight538.66 g/mol
Exact Mass538.25
IUPAC Name2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc2ccc(N)cc2[nH]1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C19H16N4O.C15H14N2/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16;1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h2-11,22H,1H3,(H,20,23)(H,21,24);2-9,17H,16H2,1H3
InChIKeyKZNLKUBWNUAGCA-UHFFFAOYSA-N
XLogP7.84
TPSA115.38 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.66
LogP ≤ 57.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

PF-477736
CID 135565545
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]acetamide
CID 135984730
5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 118933302
3-methyl-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135457649
3-isopropyl-N'-[(2-methyl-1H-indol-3-yl)methylene]-1H-pyrazole-5-carbohydrazide
CID 135505314
N'-[(E)-1H-indol-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 135510250
(E)-N'-((1H-indol-3-yl)methylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135642422
19-Methyl-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
CID 16727122
3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419986
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
3-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
CID 66604810

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide (CID 159286132) is 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide is Cc1ccccc1-c1cc2ccc(N)cc2[nH]1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1.
What is the InChIKey of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is KZNLKUBWNUAGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.C15H14N2/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16;1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h2-11,22H,1H3,(H,20,23)(H,21,24);2-9,17H,16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 538.66 g/mol, XLogP of 7.84, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 159286132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).