4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C25H28N8O — CID 135262345

IUPAC4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)n1
InChIInChI=1S/C25H28N8O/c1-18-7-5-8-21(28-18)23-30-24(22-9-6-15-33(22)31-23)29-20-10-11-26-17-19(20)25(34)27-12-16-32-13-3-2-4-14-32/h5-11,15,17H,2-4,12-14,16H2,1H3,(H,27,34)(H,26,29,30,31)
InChIKeyYDVAQJIQIQABII-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.45
Rot. Bonds7

About 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 135262345) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID135262345
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)n1
InChIInChI=1S/C25H28N8O/c1-18-7-5-8-21(28-18)23-30-24(22-9-6-15-33(22)31-23)29-20-10-11-26-17-19(20)25(34)27-12-16-32-13-3-2-4-14-32/h5-11,15,17H,2-4,12-14,16H2,1H3,(H,27,34)(H,26,29,30,31)
InChIKeyYDVAQJIQIQABII-UHFFFAOYSA-N
XLogP3.45
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 135262345) is 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is Cc1cccc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)n1.
What is the InChIKey of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is YDVAQJIQIQABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-18-7-5-8-21(28-18)23-30-24(22-9-6-15-33(22)31-23)29-20-10-11-26-17-19(20)25(34)27-12-16-32-13-3-2-4-14-32/h5-11,15,17H,2-4,12-14,16H2,1H3,(H,27,34)(H,26,29,30,31).
What are the key properties of 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135262345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).