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

C18H18N8 — CID 71254348

IUPAC5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCNCC2)c1
InChIInChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24)
InChIKeyBDYUVBLOKBRWER-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.62
Rot. Bonds3

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

5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71254348) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71254348
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCNCC2)c1
InChIInChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24)
InChIKeyBDYUVBLOKBRWER-UHFFFAOYSA-N
XLogP1.62
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 71254348) is 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCNCC2)c1.
What is the InChIKey of 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BDYUVBLOKBRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24).
What are the key properties of 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 346.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71254348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).