3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

C27H22N8O — CID 122690857

IUPAC3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1
InChIInChI=1S/C27H22N8O/c1-34-10-6-17-3-4-18(11-25(17)34)22-12-19(13-23-26(22)30-9-8-29-23)32-24-15-28-7-5-21(24)27(36)33-20-14-31-35(2)16-20/h3-16,32H,1-2H3,(H,33,36)
InChIKeyMXRFFNYLFKXZHZ-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.91
Rot. Bonds5

About 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 122690857) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID122690857
Molecular FormulaC27H22N8O
Molecular Weight474.53 g/mol
Exact Mass474.19
IUPAC Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1
InChIInChI=1S/C27H22N8O/c1-34-10-6-17-3-4-18(11-25(17)34)22-12-19(13-23-26(22)30-9-8-29-23)32-24-15-28-7-5-21(24)27(36)33-20-14-31-35(2)16-20/h3-16,32H,1-2H3,(H,33,36)
InChIKeyMXRFFNYLFKXZHZ-UHFFFAOYSA-N
XLogP4.91
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
CID 122689236
N-[2-(dimethylamino)ethyl]-1H-pyrazolo[5,4-a]phenazine-10-carboxamide
CID 9902222
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
14-[2-(Dimethylamino)ethyl]-10-[3-[3-[[14-[2-(dimethylamino)ethyl]-8-oxo-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]propyl-methylamino]propylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
CID 24800005
14-[2-(Diethylamino)ethyl]-10-[3-[3-[[14-[2-(diethylamino)ethyl]-8-oxo-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]propyl-methylamino]propylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
CID 24800007
14-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
CID 9886077
N-[2-(dimethylamino)ethyl]-3H-pyrazolo[4,5-a]phenazine-10-carboxamide
CID 9945601
Pyrazino[2,3-alpha]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9968070
Pyrido[3,2-alpha]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10154613
3-Methyl-3H-Pyrazol[4,3-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10269234

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (CID 122690857) is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is Cn1cc(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1.
What is the InChIKey of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is MXRFFNYLFKXZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c1-34-10-6-17-3-4-18(11-25(17)34)22-12-19(13-23-26(22)30-9-8-29-23)32-24-15-28-7-5-21(24)27(36)33-20-14-31-35(2)16-20/h3-16,32H,1-2H3,(H,33,36).
What are the key properties of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122690857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).