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

C24H22N6O2 — CID 10048112

IUPACN-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccccn3)c(C)c12
InChIInChI=1S/C24H22N6O2/c1-14-6-7-16(24(32)28-17-8-9-17)11-20(14)29-23-21-15(2)18(12-30(21)27-13-26-23)22(31)19-5-3-4-10-25-19/h3-7,10-13,17H,8-9H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeyNJXNBUDANDQGAU-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.61
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 10048112) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID10048112
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccccn3)c(C)c12
InChIInChI=1S/C24H22N6O2/c1-14-6-7-16(24(32)28-17-8-9-17)11-20(14)29-23-21-15(2)18(12-30(21)27-13-26-23)22(31)19-5-3-4-10-25-19/h3-7,10-13,17H,8-9H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeyNJXNBUDANDQGAU-UHFFFAOYSA-N
XLogP3.61
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.61
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-(pyridine-2-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-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 10048112) is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-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-(pyridine-2-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-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccccn3)c(C)c12.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is NJXNBUDANDQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-6-7-16(24(32)28-17-8-9-17)11-20(14)29-23-21-15(2)18(12-30(21)27-13-26-23)22(31)19-5-3-4-10-25-19/h3-7,10-13,17H,8-9H2,1-2H3,(H,28,32)(H,26,27,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.61, 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-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is sourced from PubChem (CID 10048112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).