5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H20N4O2 — CID 82273472

IUPAC5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3cccnc3)c[nH]n2c(=O)c1CCCOc1ccccc1
InChIInChI=1S/C21H20N4O2/c1-15-18(10-6-12-27-17-8-3-2-4-9-17)21(26)25-20(24-15)19(14-23-25)16-7-5-11-22-13-16/h2-5,7-9,11,13-14,23H,6,10,12H2,1H3
InChIKeyGTCDTNKQGTZSQS-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.40
Rot. Bonds6

About 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273472) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273472
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3cccnc3)c[nH]n2c(=O)c1CCCOc1ccccc1
InChIInChI=1S/C21H20N4O2/c1-15-18(10-6-12-27-17-8-3-2-4-9-17)21(26)25-20(24-15)19(14-23-25)16-7-5-11-22-13-16/h2-5,7-9,11,13-14,23H,6,10,12H2,1H3
InChIKeyGTCDTNKQGTZSQS-UHFFFAOYSA-N
XLogP3.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2-fluorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273470
6-[(4-chlorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273473
5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273454
3-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82274156
3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273394
3-[3-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82274150
2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273300
6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273493
4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid
CID 175325173
4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride
CID 68805384
6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828
3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172659006

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273472) is 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3cccnc3)c[nH]n2c(=O)c1CCCOc1ccccc1.
What is the InChIKey of 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GTCDTNKQGTZSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-18(10-6-12-27-17-8-3-2-4-9-17)21(26)25-20(24-15)19(14-23-25)16-7-5-11-22-13-16/h2-5,7-9,11,13-14,23H,6,10,12H2,1H3.
What are the key properties of 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).