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

C24H24N6O2 — CID 56670061

IUPACN-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cccn3C)c(C)c12
InChIInChI=1S/C24H24N6O2/c1-14-6-7-16(24(32)27-17-8-9-17)11-19(14)28-23-21-15(2)18(12-30(21)26-13-25-23)22(31)20-5-4-10-29(20)3/h4-7,10-13,17H,8-9H2,1-3H3,(H,27,32)(H,25,26,28)
InChIKeyJQFSDNCYTOSPLA-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.55
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 56670061) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-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-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID56670061
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cccn3C)c(C)c12
InChIInChI=1S/C24H24N6O2/c1-14-6-7-16(24(32)27-17-8-9-17)11-19(14)28-23-21-15(2)18(12-30(21)26-13-25-23)22(31)20-5-4-10-29(20)3/h4-7,10-13,17H,8-9H2,1-3H3,(H,27,32)(H,25,26,28)
InChIKeyJQFSDNCYTOSPLA-UHFFFAOYSA-N
XLogP3.55
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.55
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-methylpyrrole-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-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 56670061) is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-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-(1-methylpyrrole-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-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cccn3C)c(C)c12.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is JQFSDNCYTOSPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-14-6-7-16(24(32)27-17-8-9-17)11-19(14)28-23-21-15(2)18(12-30(21)26-13-25-23)22(31)20-5-4-10-29(20)3/h4-7,10-13,17H,8-9H2,1-3H3,(H,27,32)(H,25,26,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(1-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.55, 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-methylpyrrole-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is sourced from PubChem (CID 56670061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).