2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O — CID 98076177

IUPAC2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cccnc3)nc2c1-c1ccccc1
InChIInChI=1S/C18H14N4O/c1-12-17(13-6-3-2-4-7-13)18-20-15(10-16(23)22(18)21-12)14-8-5-9-19-11-14/h2-11,21H,1H3
InChIKeyMYJKWITXVHRMFM-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98076177) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98076177
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cccnc3)nc2c1-c1ccccc1
InChIInChI=1S/C18H14N4O/c1-12-17(13-6-3-2-4-7-13)18-20-15(10-16(23)22(18)21-12)14-8-5-9-19-11-14/h2-11,21H,1H3
InChIKeyMYJKWITXVHRMFM-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
3-(2,3-Dichlorobenzyl)-2-ethyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 71270836
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 4112136
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656
2-(2-Cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595681
2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595683
4-Methyl-2-(2-methylphenyl)-5-(pyridine-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 25014586
4-(4-Fluorophenyl)-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 25097582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98076177) is 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3cccnc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MYJKWITXVHRMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-17(13-6-3-2-4-7-13)18-20-15(10-16(23)22(18)21-12)14-8-5-9-19-11-14/h2-11,21H,1H3.
What are the key properties of 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 302.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98076177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).