5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C23H27N7O3 — CID 170642531

IUPAC5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(C)(O)CC5)nc(OC)c34)cc12
InChIInChI=1S/C23H27N7O3/c1-23(32)8-4-15(5-9-23)26-22-27-21(33-3)19-16(7-11-30(19)28-22)14-6-10-29-18(12-14)17(13-25-29)20(31)24-2/h6-7,10-13,15,32H,4-5,8-9H2,1-3H3,(H,24,31)(H,26,28)
InChIKeyLVMFSRTZGKKXLF-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.52
Rot. Bonds5

About 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170642531) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170642531
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(C)(O)CC5)nc(OC)c34)cc12
InChIInChI=1S/C23H27N7O3/c1-23(32)8-4-15(5-9-23)26-22-27-21(33-3)19-16(7-11-30(19)28-22)14-6-10-29-18(12-14)17(13-25-29)20(31)24-2/h6-7,10-13,15,32H,4-5,8-9H2,1-3H3,(H,24,31)(H,26,28)
InChIKeyLVMFSRTZGKKXLF-UHFFFAOYSA-N
XLogP2.52
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[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-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170642531) is 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(C)(O)CC5)nc(OC)c34)cc12.
What is the InChIKey of 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LVMFSRTZGKKXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-23(32)8-4-15(5-9-23)26-22-27-21(33-3)19-16(7-11-30(19)28-22)14-6-10-29-18(12-14)17(13-25-29)20(31)24-2/h6-7,10-13,15,32H,4-5,8-9H2,1-3H3,(H,24,31)(H,26,28).
What are the key properties of 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[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 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170642531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).