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

C21H24N8O — CID 71253354

IUPAC5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H24N8O/c1-30-10-9-29-14-15(12-24-29)18-11-16-19(13-23-18)26-27-21(16)17-3-2-4-20(25-17)28-7-5-22-6-8-28/h2-4,11-14,22H,5-10H2,1H3,(H,26,27)
InChIKeyIHUDNVZNMZPTNU-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.94
Rot. Bonds6

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

5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253354) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253354
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H24N8O/c1-30-10-9-29-14-15(12-24-29)18-11-16-19(13-23-18)26-27-21(16)17-3-2-4-20(25-17)28-7-5-22-6-8-28/h2-4,11-14,22H,5-10H2,1H3,(H,26,27)
InChIKeyIHUDNVZNMZPTNU-UHFFFAOYSA-N
XLogP1.94
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 71253354) is 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is COCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is IHUDNVZNMZPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-30-10-9-29-14-15(12-24-29)18-11-16-19(13-23-18)26-27-21(16)17-3-2-4-20(25-17)28-7-5-22-6-8-28/h2-4,11-14,22H,5-10H2,1H3,(H,26,27).
What are the key properties of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 404.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).