6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H18N6O3 — CID 153270701

IUPAC6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1nnc(-c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)o1
InChIInChI=1S/C22H18N6O3/c1-12-17(21-26-25-20(31-21)15-10-7-11-23-19(15)30-3)22(29)28-18(24-12)16(13(2)27-28)14-8-5-4-6-9-14/h4-11,27H,1-3H3
InChIKeyRMQZVMULVYFIDI-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.43
Rot. Bonds4

About 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 153270701) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID153270701
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC Name6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1nnc(-c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)o1
InChIInChI=1S/C22H18N6O3/c1-12-17(21-26-25-20(31-21)15-10-7-11-23-19(15)30-3)22(29)28-18(24-12)16(13(2)27-28)14-8-5-4-6-9-14/h4-11,27H,1-3H3
InChIKeyRMQZVMULVYFIDI-UHFFFAOYSA-N
XLogP3.43
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 118716972
6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884276
2-methoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 40052128
(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 71908552
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 70706141
2-ethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71941661
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 134490977
6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557425
5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557527
2-(4-Fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazole
CID 99962711
2-(2-Fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazole
CID 99962731
3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177666765

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 153270701) is 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ncccc1-c1nnc(-c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)o1.
What is the InChIKey of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RMQZVMULVYFIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-12-17(21-26-25-20(31-21)15-10-7-11-23-19(15)30-3)22(29)28-18(24-12)16(13(2)27-28)14-8-5-4-6-9-14/h4-11,27H,1-3H3.
What are the key properties of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 414.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 153270701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).