[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea

C16H18N8O — CID 71253517

IUPAC[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESNC(=O)Nc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1
InChIInChI=1S/C16H18N8O/c17-16(25)21-13-8-10-12(9-19-13)22-23-15(10)11-2-1-3-14(20-11)24-6-4-18-5-7-24/h1-3,8-9,18H,4-7H2,(H,22,23)(H3,17,19,21,25)
InChIKeyKFQYYKRUXDSCRR-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.92
Rot. Bonds3

About [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea

[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 71253517) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID71253517
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESNC(=O)Nc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1
InChIInChI=1S/C16H18N8O/c17-16(25)21-13-8-10-12(9-19-13)22-23-15(10)11-2-1-3-14(20-11)24-6-4-18-5-7-24/h1-3,8-9,18H,4-7H2,(H,22,23)(H3,17,19,21,25)
InChIKeyKFQYYKRUXDSCRR-UHFFFAOYSA-N
XLogP0.92
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea 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 [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea (CID 71253517) is [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea is NC(=O)Nc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1.
What is the InChIKey of [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is KFQYYKRUXDSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c17-16(25)21-13-8-10-12(9-19-13)22-23-15(10)11-2-1-3-14(20-11)24-6-4-18-5-7-24/h1-3,8-9,18H,4-7H2,(H,22,23)(H3,17,19,21,25).
What are the key properties of [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea?
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 338.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 71253517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).