2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one

C16H15N7O3 — CID 178105335

IUPAC2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one
SMILESCOn1ncc2c(-n3cc4ccn(C5CCOC5)c(=O)c4n3)ncnc21
InChIInChI=1S/C16H15N7O3/c1-25-23-15-12(6-19-23)14(17-9-18-15)22-7-10-2-4-21(11-3-5-26-8-11)16(24)13(10)20-22/h2,4,6-7,9,11H,3,5,8H2,1H3
InChIKeyPZJMBADUOMGRHA-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.35
Rot. Bonds3

About 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one

2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one (PubChem CID 178105335) has the molecular formula C16H15N7O3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one
PubChem CID178105335
Molecular FormulaC16H15N7O3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one
SMILESCOn1ncc2c(-n3cc4ccn(C5CCOC5)c(=O)c4n3)ncnc21
InChIInChI=1S/C16H15N7O3/c1-25-23-15-12(6-19-23)14(17-9-18-15)22-7-10-2-4-21(11-3-5-26-8-11)16(24)13(10)20-22/h2,4,6-7,9,11H,3,5,8H2,1H3
InChIKeyPZJMBADUOMGRHA-UHFFFAOYSA-N
XLogP0.35
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one
CID 114585153
3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one
CID 174225933
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
methyl 2-[4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 97223934
4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane
CID 142391354
6-amino-2-[4-butyl-3-[4-[(1-methylpyrrolidin-2-yl)methoxy]-6-[7-oxo-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-2-yl]pyrimidin-2-yl]-1,2-oxazol-5-yl]-3-propylbenzonitrile
CID 178044627
3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 129494172
(2S,6R)-4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866557
4-ethynyl-1-(oxolan-3-yl)pyrazole
CID 122240699
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752
N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide
CID 124725959

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one (CID 178105335) is 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one is COn1ncc2c(-n3cc4ccn(C5CCOC5)c(=O)c4n3)ncnc21.
What is the InChIKey of 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one?
The InChIKey is PZJMBADUOMGRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3/c1-25-23-15-12(6-19-23)14(17-9-18-15)22-7-10-2-4-21(11-3-5-26-8-11)16(24)13(10)20-22/h2,4,6-7,9,11H,3,5,8H2,1H3.
What are the key properties of 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one?
2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one has a molecular weight of 353.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)-6-(oxolan-3-yl)pyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 178105335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).