1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C17H23N5O2 — CID 53369967

IUPAC1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCn1cc(C2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cn1
InChIInChI=1S/C17H23N5O2/c1-21-10-11(9-18-21)13-8-14(23)19-16-15(13)17(24)20-22(16)12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyCVDDHLMBRNBGSO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds2

About 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 53369967) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID53369967
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCn1cc(C2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cn1
InChIInChI=1S/C17H23N5O2/c1-21-10-11(9-18-21)13-8-14(23)19-16-15(13)17(24)20-22(16)12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyCVDDHLMBRNBGSO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 53369967) is 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is Cn1cc(C2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cn1.
What is the InChIKey of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is CVDDHLMBRNBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-10-11(9-18-21)13-8-14(23)19-16-15(13)17(24)20-22(16)12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
1-cycloheptyl-4-(1-methylpyrazol-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 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 53369967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).