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

C26H24N8O3 — CID 137049263

IUPAC2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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)CC3c2nnc(-c3ccccc3)o2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C26H24N8O3/c1-16-18(15-27-34(16)25-28-21(35)20-8-5-11-33(20)31-25)24(36)32-12-9-26(10-13-32)14-19(26)23-30-29-22(37-23)17-6-3-2-4-7-17/h2-8,11,15,19H,9-10,12-14H2,1H3,(H,28,31,35)
InChIKeyJIVYXXPAOLWMFX-UHFFFAOYSA-N
MW496.53 g/mol
LogP2.98
Rot. Bonds4

About 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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-phenyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049263) has the molecular formula C26H24N8O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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-phenyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049263
Molecular FormulaC26H24N8O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Name2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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)CC3c2nnc(-c3ccccc3)o2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C26H24N8O3/c1-16-18(15-27-34(16)25-28-21(35)20-8-5-11-33(20)31-25)24(36)32-12-9-26(10-13-32)14-19(26)23-30-29-22(37-23)17-6-3-2-4-7-17/h2-8,11,15,19H,9-10,12-14H2,1H3,(H,28,31,35)
InChIKeyJIVYXXPAOLWMFX-UHFFFAOYSA-N
XLogP2.98
TPSA127.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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-phenyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane-6-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049263) is 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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-phenyl-1,3,4-oxadiazol-2-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-phenyl-1,3,4-oxadiazol-2-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)CC3c2nnc(-c3ccccc3)o2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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 JIVYXXPAOLWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3/c1-16-18(15-27-34(16)25-28-21(35)20-8-5-11-33(20)31-25)24(36)32-12-9-26(10-13-32)14-19(26)23-30-29-22(37-23)17-6-3-2-4-7-17/h2-8,11,15,19H,9-10,12-14H2,1H3,(H,28,31,35).
What are the key properties of 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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-phenyl-1,3,4-oxadiazol-2-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 496.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[2-(5-phenyl-1,3,4-oxadiazol-2-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 137049263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).