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

C25H24N6O2 — CID 10478416

IUPACN-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1cccc(C(=O)c2cn3ncnc(Nc4cc(C(=O)NC5CC5)ccc4C)c3c2C)n1
InChIInChI=1S/C25H24N6O2/c1-14-7-8-17(25(33)29-18-9-10-18)11-21(14)30-24-22-16(3)19(12-31(22)27-13-26-24)23(32)20-6-4-5-15(2)28-20/h4-8,11-13,18H,9-10H2,1-3H3,(H,29,33)(H,26,27,30)
InChIKeyKVFHAVXQLSFJDL-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.92
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 10478416) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-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-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID10478416
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCc1cccc(C(=O)c2cn3ncnc(Nc4cc(C(=O)NC5CC5)ccc4C)c3c2C)n1
InChIInChI=1S/C25H24N6O2/c1-14-7-8-17(25(33)29-18-9-10-18)11-21(14)30-24-22-16(3)19(12-31(22)27-13-26-24)23(32)20-6-4-5-15(2)28-20/h4-8,11-13,18H,9-10H2,1-3H3,(H,29,33)(H,26,27,30)
InChIKeyKVFHAVXQLSFJDL-UHFFFAOYSA-N
XLogP3.92
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.92
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-(6-methylpyridine-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-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 10478416) is N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-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-(6-methylpyridine-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-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is Cc1cccc(C(=O)c2cn3ncnc(Nc4cc(C(=O)NC5CC5)ccc4C)c3c2C)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is KVFHAVXQLSFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-14-7-8-17(25(33)29-18-9-10-18)11-21(14)30-24-22-16(3)19(12-31(22)27-13-26-24)23(32)20-6-4-5-15(2)28-20/h4-8,11-13,18H,9-10H2,1-3H3,(H,29,33)(H,26,27,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide has a molecular weight of 440.51 g/mol, XLogP of 3.92, 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-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is sourced from PubChem (CID 10478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).