1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione

C16H19N5O2 — CID 155952538

IUPAC1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(Cc2cnc3c(cnn3C(C)C)c2)c1=O
InChIInChI=1S/C16H19N5O2/c1-10(2)21-14-13(7-18-21)5-12(6-17-14)9-20-15(22)11(3)8-19(4)16(20)23/h5-8,10H,9H2,1-4H3
InChIKeyXWXFWIGZCBUJEA-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.23
Rot. Bonds3

About 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione

1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 155952538) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID155952538
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(Cc2cnc3c(cnn3C(C)C)c2)c1=O
InChIInChI=1S/C16H19N5O2/c1-10(2)21-14-13(7-18-21)5-12(6-17-14)9-20-15(22)11(3)8-19(4)16(20)23/h5-8,10H,9H2,1-4H3
InChIKeyXWXFWIGZCBUJEA-UHFFFAOYSA-N
XLogP1.23
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione (CID 155952538) is 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione is Cc1cn(C)c(=O)n(Cc2cnc3c(cnn3C(C)C)c2)c1=O.
What is the InChIKey of 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is XWXFWIGZCBUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)21-14-13(7-18-21)5-12(6-17-14)9-20-15(22)11(3)8-19(4)16(20)23/h5-8,10H,9H2,1-4H3.
What are the key properties of 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione?
1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 155952538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).