(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C17H23N5O2 — CID 95390433

IUPAC(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1c([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cnn1C
InChIInChI=1S/C17H23N5O2/c1-10-13(9-18-21(10)2)12-8-14(23)19-16-15(12)17(24)20-22(16)11-6-4-3-5-7-11/h9,11-12H,3-8H2,1-2H3,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyXGLQOVNQEAYQDL-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.20
Rot. Bonds2

About (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95390433) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95390433
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1c([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cnn1C
InChIInChI=1S/C17H23N5O2/c1-10-13(9-18-21(10)2)12-8-14(23)19-16-15(12)17(24)20-22(16)11-6-4-3-5-7-11/h9,11-12H,3-8H2,1-2H3,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyXGLQOVNQEAYQDL-GFCCVEGCSA-N
XLogP2.20
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95390433) is (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is Cc1c([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cnn1C.
What is the InChIKey of (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is XGLQOVNQEAYQDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-13(9-18-21(10)2)12-8-14(23)19-16-15(12)17(24)20-22(16)11-6-4-3-5-7-11/h9,11-12H,3-8H2,1-2H3,(H,19,23)(H,20,24)/t12-/m1/s1.
What are the key properties of (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 329.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95390433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).