N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide

C28H26N6O2 — CID 56659738

IUPACN-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cn(C)c4ccccc34)c(C)c12
InChIInChI=1S/C28H26N6O2/c1-16-8-9-18(28(36)31-19-10-11-19)12-23(16)32-27-25-17(2)21(14-34(25)30-15-29-27)26(35)22-13-33(3)24-7-5-4-6-20(22)24/h4-9,12-15,19H,10-11H2,1-3H3,(H,31,36)(H,29,30,32)
InChIKeyZWFCCNCTYHQBLD-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.70
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 56659738) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID56659738
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC NameN-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cn(C)c4ccccc34)c(C)c12
InChIInChI=1S/C28H26N6O2/c1-16-8-9-18(28(36)31-19-10-11-19)12-23(16)32-27-25-17(2)21(14-34(25)30-15-29-27)26(35)22-13-33(3)24-7-5-4-6-20(22)24/h4-9,12-15,19H,10-11H2,1-3H3,(H,31,36)(H,29,30,32)
InChIKeyZWFCCNCTYHQBLD-UHFFFAOYSA-N
XLogP4.70
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 56659738) is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cn(C)c4ccccc34)c(C)c12.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is ZWFCCNCTYHQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-16-8-9-18(28(36)31-19-10-11-19)12-23(16)32-27-25-17(2)21(14-34(25)30-15-29-27)26(35)22-13-33(3)24-7-5-4-6-20(22)24/h4-9,12-15,19H,10-11H2,1-3H3,(H,31,36)(H,29,30,32).
What are the key properties of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide has a molecular weight of 478.56 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylindole-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is sourced from PubChem (CID 56659738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).