5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C24H26FN7O2 — CID 170642542

IUPAC5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3c(F)cn4nc(NC5CCC6(CC5)CC6)nc(OC)c34)cc12
InChIInChI=1S/C24H26FN7O2/c1-26-21(33)16-12-27-31-10-5-14(11-18(16)31)19-17(25)13-32-20(19)22(34-2)29-23(30-32)28-15-3-6-24(7-4-15)8-9-24/h5,10-13,15H,3-4,6-9H2,1-2H3,(H,26,33)(H,28,30)
InChIKeyWXRJCXUNWAHPAM-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.69
Rot. Bonds5

About 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170642542) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170642542
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3c(F)cn4nc(NC5CCC6(CC5)CC6)nc(OC)c34)cc12
InChIInChI=1S/C24H26FN7O2/c1-26-21(33)16-12-27-31-10-5-14(11-18(16)31)19-17(25)13-32-20(19)22(34-2)29-23(30-32)28-15-3-6-24(7-4-15)8-9-24/h5,10-13,15H,3-4,6-9H2,1-2H3,(H,26,33)(H,28,30)
InChIKeyWXRJCXUNWAHPAM-UHFFFAOYSA-N
XLogP3.69
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-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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Related Compounds

5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657369
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657316
5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773388
6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642954
4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170641750
N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
CID 170642459
4-[[5-[4-diazenyl-3-[[(2S)-2-fluoropropyl]amino]phenyl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 177156778
CID 174066443
CID 174066443
6-[2-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642352
N-[3-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 174160029
6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170657324
2-[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 170642201

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170642542) is 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-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-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1cnn2ccc(-c3c(F)cn4nc(NC5CCC6(CC5)CC6)nc(OC)c34)cc12.
What is the InChIKey of 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WXRJCXUNWAHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-26-21(33)16-12-27-31-10-5-14(11-18(16)31)19-17(25)13-32-20(19)22(34-2)29-23(30-32)28-15-3-6-24(7-4-15)8-9-24/h5,10-13,15H,3-4,6-9H2,1-2H3,(H,26,33)(H,28,30).
What are the key properties of 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170642542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).