6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine

C18H21N5 — CID 110118592

IUPAC6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESCc1cccc(CN2CCCC(c3ccc4cn[nH]c4n3)C2)n1
InChIInChI=1S/C18H21N5/c1-13-4-2-6-16(20-13)12-23-9-3-5-15(11-23)17-8-7-14-10-19-22-18(14)21-17/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,19,21,22)
InChIKeyQTHMJGPLABMXIQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.04
Rot. Bonds3

About 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine

6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine (PubChem CID 110118592) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
PubChem CID110118592
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESCc1cccc(CN2CCCC(c3ccc4cn[nH]c4n3)C2)n1
InChIInChI=1S/C18H21N5/c1-13-4-2-6-16(20-13)12-23-9-3-5-15(11-23)17-8-7-14-10-19-22-18(14)21-17/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,19,21,22)
InChIKeyQTHMJGPLABMXIQ-UHFFFAOYSA-N
XLogP3.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine (CID 110118592) is 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine is Cc1cccc(CN2CCCC(c3ccc4cn[nH]c4n3)C2)n1.
What is the InChIKey of 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is QTHMJGPLABMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-4-2-6-16(20-13)12-23-9-3-5-15(11-23)17-8-7-14-10-19-22-18(14)21-17/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,19,21,22).
What are the key properties of 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 110118592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).