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

C24H29N7O2 — CID 170643083

IUPAC1-[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
SMILESCOc1nc(NC2CC3(CCN(C(C)=O)CC3)C2)nn2ccc(C3=Cc4ccnn4CC3)c12
InChIInChI=1S/C24H29N7O2/c1-16(32)29-11-6-24(7-12-29)14-18(15-24)26-23-27-22(33-2)21-20(5-10-31(21)28-23)17-4-9-30-19(13-17)3-8-25-30/h3,5,8,10,13,18H,4,6-7,9,11-12,14-15H2,1-2H3,(H,26,28)
InChIKeyLDNSYZAFQRRCTJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.08
Rot. Bonds4

About 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

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 (PubChem CID 170643083) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID170643083
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-[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
SMILESCOc1nc(NC2CC3(CCN(C(C)=O)CC3)C2)nn2ccc(C3=Cc4ccnn4CC3)c12
InChIInChI=1S/C24H29N7O2/c1-16(32)29-11-6-24(7-12-29)14-18(15-24)26-23-27-22(33-2)21-20(5-10-31(21)28-23)17-4-9-30-19(13-17)3-8-25-30/h3,5,8,10,13,18H,4,6-7,9,11-12,14-15H2,1-2H3,(H,26,28)
InChIKeyLDNSYZAFQRRCTJ-UHFFFAOYSA-N
XLogP3.08
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate
CID 170657490
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-[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
N-[3-[[5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 171034162
N-[3-[[5-(3-ethylbenzotriazol-5-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 174159997
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
[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] N-tert-butylcarbamate
CID 170643101
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
1-[(3S)-3-[[4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 170642437
N-[3-[[5-[3-(2-fluoroethyl)benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 171034168

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(NC2CC3(CCN(C(C)=O)CC3)C2)nn2ccc(C3=Cc4ccnn4CC3)c12.
What is the InChIKey of 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?
The InChIKey is LDNSYZAFQRRCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-16(32)29-11-6-24(7-12-29)14-18(15-24)26-23-27-22(33-2)21-20(5-10-31(21)28-23)17-4-9-30-19(13-17)3-8-25-30/h3,5,8,10,13,18H,4,6-7,9,11-12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 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?
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 has a molecular weight of 447.54 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170643083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).