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

C22H20N10O3 — CID 137049670

IUPAC2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3nnc(-c4cccnc4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C22H20N10O3/c1-14-16(13-24-32(14)21-25-18(33)17-5-3-7-31(17)28-21)20(34)29-8-10-30(11-9-29)22-27-26-19(35-22)15-4-2-6-23-12-15/h2-7,12-13H,8-11H2,1H3,(H,25,28,33)
InChIKeyLVNPHVVXNXREIL-UHFFFAOYSA-N
MW472.47 g/mol
LogP0.92
Rot. Bonds4

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

2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049670) has the molecular formula C22H20N10O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049670
Molecular FormulaC22H20N10O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3nnc(-c4cccnc4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C22H20N10O3/c1-14-16(13-24-32(14)21-25-18(33)17-5-3-7-31(17)28-21)20(34)29-8-10-30(11-9-29)22-27-26-19(35-22)15-4-2-6-23-12-15/h2-7,12-13H,8-11H2,1H3,(H,25,28,33)
InChIKeyLVNPHVVXNXREIL-UHFFFAOYSA-N
XLogP0.92
TPSA143.34 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049409
2-[5-methyl-4-(4-pyrrol-1-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049685
2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3-oxazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049736
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 62706817
2-[5-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049056
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
2-[5-methyl-4-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049420
2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049434
2-[4-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octane-6-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049534
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
2-[4-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049592
2-[5-methyl-4-[4-(5-pyridin-4-yl-1,3-oxazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049595

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049670) is 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-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-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCN(c3nnc(-c4cccnc4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is LVNPHVVXNXREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N10O3/c1-14-16(13-24-32(14)21-25-18(33)17-5-3-7-31(17)28-21)20(34)29-8-10-30(11-9-29)22-27-26-19(35-22)15-4-2-6-23-12-15/h2-7,12-13H,8-11H2,1H3,(H,25,28,33).
What are the key properties of 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 472.47 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).