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

C24H29N7O3 — CID 170657412

IUPAC5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(C)(OC)CC5)nc(OC)c34)cc12
InChIInChI=1S/C24H29N7O3/c1-24(34-4)9-5-16(6-10-24)27-23-28-22(33-3)20-17(8-12-31(20)29-23)15-7-11-30-19(13-15)18(14-26-30)21(32)25-2/h7-8,11-14,16H,5-6,9-10H2,1-4H3,(H,25,32)(H,27,29)
InChIKeyYCFFHILAYDOGKZ-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.17
Rot. Bonds6

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

5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170657412) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)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-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170657412
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3ccn4nc(NC5CCC(C)(OC)CC5)nc(OC)c34)cc12
InChIInChI=1S/C24H29N7O3/c1-24(34-4)9-5-16(6-10-24)27-23-28-22(33-3)20-17(8-12-31(20)29-23)15-7-11-30-19(13-15)18(14-26-30)21(32)25-2/h7-8,11-14,16H,5-6,9-10H2,1-4H3,(H,25,32)(H,27,29)
InChIKeyYCFFHILAYDOGKZ-UHFFFAOYSA-N
XLogP3.17
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)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-methoxy-4-methylcyclohexyl)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-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170657412) is 5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)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-methoxy-4-methylcyclohexyl)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-methoxy-4-methylcyclohexyl)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(C)(OC)CC5)nc(OC)c34)cc12.
What is the InChIKey of 5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YCFFHILAYDOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-24(34-4)9-5-16(6-10-24)27-23-28-22(33-3)20-17(8-12-31(20)29-23)15-7-11-30-19(13-15)18(14-26-30)21(32)25-2/h7-8,11-14,16H,5-6,9-10H2,1-4H3,(H,25,32)(H,27,29).
What are the key properties of 5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[4-methoxy-2-[(4-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.17, 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-methoxy-4-methylcyclohexyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170657412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).