[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

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Related Compounds

Elimusertib
CID 118869362
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1-(Propan-2-Yl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278566
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278567
4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine
CID 132166808
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
6-(6-Ethynylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 89914096

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).