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

C26H37N7 — CID 123133066

IUPAC3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCC(C4CCNCC4)CC3)n2)c1
InChIInChI=1S/C26H37N7/c1-4-22(26-21-15-23(20-3-2-10-28-16-20)29-17-24(21)31-32-26)30-25(5-1)33-13-8-19(9-14-33)18-6-11-27-12-7-18/h1-5,10,16,18-19,21,23-24,26-27,29,31-32H,6-9,11-15,17H2
InChIKeyKWAYHVNYZLRZFJ-UHFFFAOYSA-N
MW447.63 g/mol
LogP2.56
Rot. Bonds4

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

3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123133066) has the molecular formula C26H37N7 and a molecular weight of 447.63 g/mol. Its IUPAC name is 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID123133066
Molecular FormulaC26H37N7
Molecular Weight447.63 g/mol
Exact Mass447.31
IUPAC Name3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCC(C4CCNCC4)CC3)n2)c1
InChIInChI=1S/C26H37N7/c1-4-22(26-21-15-23(20-3-2-10-28-16-20)29-17-24(21)31-32-26)30-25(5-1)33-13-8-19(9-14-33)18-6-11-27-12-7-18/h1-5,10,16,18-19,21,23-24,26-27,29,31-32H,6-9,11-15,17H2
InChIKeyKWAYHVNYZLRZFJ-UHFFFAOYSA-N
XLogP2.56
TPSA77.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 123133066) is 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is c1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCC(C4CCNCC4)CC3)n2)c1.
What is the InChIKey of 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is KWAYHVNYZLRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7/c1-4-22(26-21-15-23(20-3-2-10-28-16-20)29-17-24(21)31-32-26)30-25(5-1)33-13-8-19(9-14-33)18-6-11-27-12-7-18/h1-5,10,16,18-19,21,23-24,26-27,29,31-32H,6-9,11-15,17H2.
What are the key properties of 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 447.63 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123133066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).