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

C27H29N9O — CID 136945604

IUPAC3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(N2CCCCC2)n1
InChIInChI=1S/C27H29N9O/c1-2-10-36(11-3-1)27-24-22(6-9-30-27)32-26(33-24)23-21-13-18(15-31-25(21)35-34-23)17-12-20(16-29-14-17)37-19-4-7-28-8-5-19/h6,9,12-16,19,28H,1-5,7-8,10-11H2,(H,32,33)(H,31,34,35)
InChIKeyVTLGHNUCVOHDJD-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.08
Rot. Bonds5

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

3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945604) has the molecular formula C27H29N9O and a molecular weight of 495.59 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945604
Molecular FormulaC27H29N9O
Molecular Weight495.59 g/mol
Exact Mass495.25
IUPAC Name3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(N2CCCCC2)n1
InChIInChI=1S/C27H29N9O/c1-2-10-36(11-3-1)27-24-22(6-9-30-27)32-26(33-24)23-21-13-18(15-31-25(21)35-34-23)17-12-20(16-29-14-17)37-19-4-7-28-8-5-19/h6,9,12-16,19,28H,1-5,7-8,10-11H2,(H,32,33)(H,31,34,35)
InChIKeyVTLGHNUCVOHDJD-UHFFFAOYSA-N
XLogP4.08
TPSA120.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 136945604) is 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-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-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is c1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(N2CCCCC2)n1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is VTLGHNUCVOHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O/c1-2-10-36(11-3-1)27-24-22(6-9-30-27)32-26(33-24)23-21-13-18(15-31-25(21)35-34-23)17-12-20(16-29-14-17)37-19-4-7-28-8-5-19/h6,9,12-16,19,28H,1-5,7-8,10-11H2,(H,32,33)(H,31,34,35).
What are the key properties of 3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 495.59 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 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-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).