5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C24H27N7O3 — CID 170642252

IUPAC5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC6(CC5)COC6)nc(OC)c34)cc12
InChIInChI=1S/C24H27N7O3/c1-25-21(32)18-12-26-30-9-5-15(11-19(18)30)17-6-10-31-20(17)22(33-2)28-23(29-31)27-16-3-7-24(8-4-16)13-34-14-24/h5-6,9-12,16H,3-4,7-8,13-14H2,1-2H3,(H,25,32)(H,27,29)
InChIKeyAQYCDOIDFJYHQO-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.78
Rot. Bonds5

About 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170642252) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)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-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170642252
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC6(CC5)COC6)nc(OC)c34)cc12
InChIInChI=1S/C24H27N7O3/c1-25-21(32)18-12-26-30-9-5-15(11-19(18)30)17-6-10-31-20(17)22(33-2)28-23(29-31)27-16-3-7-24(8-4-16)13-34-14-24/h5-6,9-12,16H,3-4,7-8,13-14H2,1-2H3,(H,25,32)(H,27,29)
InChIKeyAQYCDOIDFJYHQO-UHFFFAOYSA-N
XLogP2.78
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)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-(2-oxaspiro[3.5]nonan-7-ylamino)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-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170642252) is 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)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-(2-oxaspiro[3.5]nonan-7-ylamino)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-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC6(CC5)COC6)nc(OC)c34)cc12.
What is the InChIKey of 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AQYCDOIDFJYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-25-21(32)18-12-26-30-9-5-15(11-19(18)30)17-6-10-31-20(17)22(33-2)28-23(29-31)27-16-3-7-24(8-4-16)13-34-14-24/h5-6,9-12,16H,3-4,7-8,13-14H2,1-2H3,(H,25,32)(H,27,29).
What are the key properties of 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170642252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).