5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C23H24N6S — CID 138961933

IUPAC5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccncc1C1CC2C(CN1)NNC2c1nc2c(-c3ccsc3)cccc2[nH]1
InChIInChI=1S/C23H24N6S/c1-13-5-7-24-10-17(13)19-9-16-20(11-25-19)28-29-22(16)23-26-18-4-2-3-15(21(18)27-23)14-6-8-30-12-14/h2-8,10,12,16,19-20,22,25,28-29H,9,11H2,1H3,(H,26,27)
InChIKeyJRYIQAYSKGMCTH-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.86
Rot. Bonds3

About 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 138961933) has the molecular formula C23H24N6S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID138961933
Molecular FormulaC23H24N6S
Molecular Weight416.55 g/mol
Exact Mass416.18
IUPAC Name5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccncc1C1CC2C(CN1)NNC2c1nc2c(-c3ccsc3)cccc2[nH]1
InChIInChI=1S/C23H24N6S/c1-13-5-7-24-10-17(13)19-9-16-20(11-25-19)28-29-22(16)23-26-18-4-2-3-15(21(18)27-23)14-6-8-30-12-14/h2-8,10,12,16,19-20,22,25,28-29H,9,11H2,1H3,(H,26,27)
InChIKeyJRYIQAYSKGMCTH-UHFFFAOYSA-N
XLogP3.86
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-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 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 138961933) is 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is Cc1ccncc1C1CC2C(CN1)NNC2c1nc2c(-c3ccsc3)cccc2[nH]1.
What is the InChIKey of 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is JRYIQAYSKGMCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6S/c1-13-5-7-24-10-17(13)19-9-16-20(11-25-19)28-29-22(16)23-26-18-4-2-3-15(21(18)27-23)14-6-8-30-12-14/h2-8,10,12,16,19-20,22,25,28-29H,9,11H2,1H3,(H,26,27).
What are the key properties of 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 416.55 g/mol, XLogP of 3.86, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 138961933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).