4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C23H20N6O2 — CID 16730263

IUPAC4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCCc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12
InChIInChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
InChIKeyWHYDOZDJTWFLEP-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.13
Rot. Bonds6

About 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 16730263) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID16730263
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCCc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12
InChIInChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
InChIKeyWHYDOZDJTWFLEP-UHFFFAOYSA-N
XLogP4.13
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid with MolForge

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Related Compounds

3-[(1-Cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282772
3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
(1-(6-(6-((1-methylethyl)amino)-1H-indazol-1-yl)pyrazin-2-yl)-1H-pyrrol-3-yl)acetic acid
CID 16224058
4-[5-[(3-Fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 44449833
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 57378954
US10040779, Example 1
CID 76282043
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534
3-(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
CID 721046
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
4-[(1-benzylindazol-5-yl)amino]-5-ethyl-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 21945841
4-[(1-benzylindazol-5-yl)amino]-5-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 21945968

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 16730263) is 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is CCc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12.
What is the InChIKey of 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is WHYDOZDJTWFLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27).
What are the key properties of 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 412.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 16730263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).