5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H15N5O2 — CID 90454601

IUPAC5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)ccn1
InChIInChI=1S/C16H15N5O2/c1-9(2)13-14(10-4-5-18-12(6-10)23-3)20-15-11(7-17)8-19-21(15)16(13)22/h4-6,8-9,19H,1-3H3
InChIKeyYKDCFTJUZSWNHA-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.09
Rot. Bonds3

About 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454601) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454601
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)ccn1
InChIInChI=1S/C16H15N5O2/c1-9(2)13-14(10-4-5-18-12(6-10)23-3)20-15-11(7-17)8-19-21(15)16(13)22/h4-6,8-9,19H,1-3H3
InChIKeyYKDCFTJUZSWNHA-UHFFFAOYSA-N
XLogP2.09
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307404
6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347358
3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925399
5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925473
5-(2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925492
5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925685
3-(4-fluoro-6-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 68396295
3-(2,4-difluorophenyl)-5-(6-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156199232
5-(6-methoxy-3-pyridinyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177228625
2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92588422
2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92611522
2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92611524

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454601) is 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)ccn1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YKDCFTJUZSWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9(2)13-14(10-4-5-18-12(6-10)23-3)20-15-11(7-17)8-19-21(15)16(13)22/h4-6,8-9,19H,1-3H3.
What are the key properties of 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).