6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole

C23H22N6 — CID 11516491

IUPAC6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1cc(-c2nn(C3CCNCC3)cc2-c2ccc3c(c2)Cc2cn[nH]c2-3)ccn1
InChIInChI=1S/C23H22N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11,13-14,19,25H,5-6,9-10,12H2,(H,26,27)
InChIKeyOAHNTYYIALLVPB-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.83
Rot. Bonds3

About 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole

6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 11516491) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID11516491
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1cc(-c2nn(C3CCNCC3)cc2-c2ccc3c(c2)Cc2cn[nH]c2-3)ccn1
InChIInChI=1S/C23H22N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11,13-14,19,25H,5-6,9-10,12H2,(H,26,27)
InChIKeyOAHNTYYIALLVPB-UHFFFAOYSA-N
XLogP3.83
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole (CID 11516491) is 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole is c1cc(-c2nn(C3CCNCC3)cc2-c2ccc3c(c2)Cc2cn[nH]c2-3)ccn1.
What is the InChIKey of 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is OAHNTYYIALLVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11,13-14,19,25H,5-6,9-10,12H2,(H,26,27).
What are the key properties of 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 382.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 11516491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).