5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C23H27N7O3 — CID 170657423

IUPAC5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(OC)CC5)nc(OC)c34)cc12
InChIInChI=1S/C23H27N7O3/c1-24-21(31)18-13-25-29-10-8-14(12-19(18)29)17-9-11-30-20(17)22(33-3)27-23(28-30)26-15-4-6-16(32-2)7-5-15/h8-13,15-16H,4-7H2,1-3H3,(H,24,31)(H,26,28)
InChIKeyXKLLTKOQEGBAAI-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.78
Rot. Bonds6

About 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170657423) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170657423
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(OC)CC5)nc(OC)c34)cc12
InChIInChI=1S/C23H27N7O3/c1-24-21(31)18-13-25-29-10-8-14(12-19(18)29)17-9-11-30-20(17)22(33-3)27-23(28-30)26-15-4-6-16(32-2)7-5-15/h8-13,15-16H,4-7H2,1-3H3,(H,24,31)(H,26,28)
InChIKeyXKLLTKOQEGBAAI-UHFFFAOYSA-N
XLogP2.78
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170657423) is 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(OC)CC5)nc(OC)c34)cc12.
What is the InChIKey of 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XKLLTKOQEGBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-24-21(31)18-13-25-29-10-8-14(12-19(18)29)17-9-11-30-20(17)22(33-3)27-23(28-30)26-15-4-6-16(32-2)7-5-15/h8-13,15-16H,4-7H2,1-3H3,(H,24,31)(H,26,28).
What are the key properties of 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-[(4-methoxycyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170657423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).