1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone

C24H27N7O2 — CID 170642298

IUPAC1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1nc(NC2CC3(CCN(C(C)=O)CC3)C2)nn2ccc(-c3ccc4nccn4c3)c12
InChIInChI=1S/C24H27N7O2/c1-16(32)29-10-6-24(7-11-29)13-18(14-24)26-23-27-22(33-2)21-19(5-9-31(21)28-23)17-3-4-20-25-8-12-30(20)15-17/h3-5,8-9,12,15,18H,6-7,10-11,13-14H2,1-2H3,(H,26,28)
InChIKeySVJBNPBRAJCFBQ-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone

1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 170642298) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
PubChem CID170642298
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1nc(NC2CC3(CCN(C(C)=O)CC3)C2)nn2ccc(-c3ccc4nccn4c3)c12
InChIInChI=1S/C24H27N7O2/c1-16(32)29-10-6-24(7-11-29)13-18(14-24)26-23-27-22(33-2)21-19(5-9-31(21)28-23)17-3-4-20-25-8-12-30(20)15-17/h3-5,8-9,12,15,18H,6-7,10-11,13-14H2,1-2H3,(H,26,28)
InChIKeySVJBNPBRAJCFBQ-UHFFFAOYSA-N
XLogP3.26
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Related Compounds

2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 170642062
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
CID 170641808
1-[2-[[5-(6,7-dihydropyrazolo[1,5-a]pyridin-5-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 170643083
1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 170642523
4-[[4-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 170643129
1-[(3S,4R)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 170641792
4-methoxy-N-(7-oxaspiro[3.5]nonan-2-yl)-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642516
3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
CID 170657276
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
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
1-[6-[[5-[3-(2,2-difluoroethyl)-2-methyl-3H-indol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-azaspiro[3.3]heptan-1-yl]ethanone
CID 170641870
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone (CID 170642298) is 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone is COc1nc(NC2CC3(CCN(C(C)=O)CC3)C2)nn2ccc(-c3ccc4nccn4c3)c12.
What is the InChIKey of 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is SVJBNPBRAJCFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-16(32)29-10-6-24(7-11-29)13-18(14-24)26-23-27-22(33-2)21-19(5-9-31(21)28-23)17-3-4-20-25-8-12-30(20)15-17/h3-5,8-9,12,15,18H,6-7,10-11,13-14H2,1-2H3,(H,26,28).
What are the key properties of 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone?
1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 445.53 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 170642298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).