3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

C20H19N9 — CID 136945588

IUPAC3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cn[nH]c5)cc34)nc2c(N2CCCCC2)n1
InChIInChI=1S/C20H19N9/c1-2-6-29(7-3-1)20-17-15(4-5-21-20)25-19(26-17)16-14-8-12(13-10-23-24-11-13)9-22-18(14)28-27-16/h4-5,8-11H,1-3,6-7H2,(H,23,24)(H,25,26)(H,22,27,28)
InChIKeyWSGZAEIUDTWJFX-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.28
Rot. Bonds3

About 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945588) has the molecular formula C20H19N9 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945588
Molecular FormulaC20H19N9
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cn[nH]c5)cc34)nc2c(N2CCCCC2)n1
InChIInChI=1S/C20H19N9/c1-2-6-29(7-3-1)20-17-15(4-5-21-20)25-19(26-17)16-14-8-12(13-10-23-24-11-13)9-22-18(14)28-27-16/h4-5,8-11H,1-3,6-7H2,(H,23,24)(H,25,26)(H,22,27,28)
InChIKeyWSGZAEIUDTWJFX-UHFFFAOYSA-N
XLogP3.28
TPSA115.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 136945588) is 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is c1cc2[nH]c(-c3[nH]nc4ncc(-c5cn[nH]c5)cc34)nc2c(N2CCCCC2)n1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is WSGZAEIUDTWJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9/c1-2-6-29(7-3-1)20-17-15(4-5-21-20)25-19(26-17)16-14-8-12(13-10-23-24-11-13)9-22-18(14)28-27-16/h4-5,8-11H,1-3,6-7H2,(H,23,24)(H,25,26)(H,22,27,28).
What are the key properties of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 385.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).