4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol

C21H28N6O — CID 123133169

IUPAC4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(c2cccc(C3NNC4CNC(c5cccnc5)CC43)n2)CCNCC1
InChIInChI=1S/C21H28N6O/c28-21(6-9-22-10-7-21)19-5-1-4-16(25-19)20-15-11-17(14-3-2-8-23-12-14)24-13-18(15)26-27-20/h1-5,8,12,15,17-18,20,22,24,26-28H,6-7,9-11,13H2
InChIKeyCIHZGDKTPHPRDC-UHFFFAOYSA-N
MW380.50 g/mol
LogP0.92
Rot. Bonds3

About 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol

4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 123133169) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID123133169
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(c2cccc(C3NNC4CNC(c5cccnc5)CC43)n2)CCNCC1
InChIInChI=1S/C21H28N6O/c28-21(6-9-22-10-7-21)19-5-1-4-16(25-19)20-15-11-17(14-3-2-8-23-12-14)24-13-18(15)26-27-20/h1-5,8,12,15,17-18,20,22,24,26-28H,6-7,9-11,13H2
InChIKeyCIHZGDKTPHPRDC-UHFFFAOYSA-N
XLogP0.92
TPSA94.13 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol 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 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol (CID 123133169) is 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol is OC1(c2cccc(C3NNC4CNC(c5cccnc5)CC43)n2)CCNCC1.
What is the InChIKey of 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is CIHZGDKTPHPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c28-21(6-9-22-10-7-21)19-5-1-4-16(25-19)20-15-11-17(14-3-2-8-23-12-14)24-13-18(15)26-27-20/h1-5,8,12,15,17-18,20,22,24,26-28H,6-7,9-11,13H2.
What are the key properties of 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 380.50 g/mol, XLogP of 0.92, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 123133169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).