2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C25H23N9O3 — CID 137049540

IUPAC2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC3c2noc(-c3cccnc3)n2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C25H23N9O3/c1-15-17(14-27-34(15)24-29-21(35)19-5-3-9-33(19)30-24)23(36)32-10-6-25(7-11-32)12-18(25)20-28-22(37-31-20)16-4-2-8-26-13-16/h2-5,8-9,13-14,18H,6-7,10-12H2,1H3,(H,29,30,35)
InChIKeyDOBHNPFXSSHWAK-UHFFFAOYSA-N
MW497.52 g/mol
LogP2.37
Rot. Bonds4

About 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049540) has the molecular formula C25H23N9O3 and a molecular weight of 497.52 g/mol. Its IUPAC name is 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049540
Molecular FormulaC25H23N9O3
Molecular Weight497.52 g/mol
Exact Mass497.19
IUPAC Name2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC3c2noc(-c3cccnc3)n2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C25H23N9O3/c1-15-17(14-27-34(15)24-29-21(35)19-5-3-9-33(19)30-24)23(36)32-10-6-25(7-11-32)12-18(25)20-28-22(37-31-20)16-4-2-8-26-13-16/h2-5,8-9,13-14,18H,6-7,10-12H2,1H3,(H,29,30,35)
InChIKeyDOBHNPFXSSHWAK-UHFFFAOYSA-N
XLogP2.37
TPSA140.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4,4-difluoropiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137128223
8-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 137049411
2-[4-(4,4-difluoroazepane-1-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049511
2-[4-[4-(2,2-difluorocyclopentyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049839
2-[4-(5-hydroxy-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049336
2-[5-methyl-4-(4-methylsulfonylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137128020
2-[4-[4-(4,4-difluoropiperidin-1-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049455
2-[5-methyl-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049812
3-fluoro-1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]pyrrolidine-3-carbonitrile
CID 137049650
2-[5-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049713
tert-butyl 7-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 137049276
2-[5-methyl-4-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049791

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049540) is 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCC3(CC2)CC3c2noc(-c3cccnc3)n2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is DOBHNPFXSSHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O3/c1-15-17(14-27-34(15)24-29-21(35)19-5-3-9-33(19)30-24)23(36)32-10-6-25(7-11-32)12-18(25)20-28-22(37-31-20)16-4-2-8-26-13-16/h2-5,8-9,13-14,18H,6-7,10-12H2,1H3,(H,29,30,35).
What are the key properties of 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 497.52 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).