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

C24H24N6 — CID 54583636

IUPAC6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole
SMILESCN1CCC(n2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C24H24N6/c1-29-10-6-20(7-11-29)30-15-22(24(28-30)16-4-8-25-9-5-16)17-2-3-21-18(12-17)13-19-14-26-27-23(19)21/h2-5,8-9,12,14-15,20H,6-7,10-11,13H2,1H3,(H,26,27)
InChIKeyBXUHJRIRASLBOI-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.17
Rot. Bonds3

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

6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 54583636) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID54583636
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole
SMILESCN1CCC(n2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C24H24N6/c1-29-10-6-20(7-11-29)30-15-22(24(28-30)16-4-8-25-9-5-16)17-2-3-21-18(12-17)13-19-14-26-27-23(19)21/h2-5,8-9,12,14-15,20H,6-7,10-11,13H2,1H3,(H,26,27)
InChIKeyBXUHJRIRASLBOI-UHFFFAOYSA-N
XLogP4.17
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole (CID 54583636) is 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole is CN1CCC(n2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)n2)CC1.
What is the InChIKey of 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is BXUHJRIRASLBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-29-10-6-20(7-11-29)30-15-22(24(28-30)16-4-8-25-9-5-16)17-2-3-21-18(12-17)13-19-14-26-27-23(19)21/h2-5,8-9,12,14-15,20H,6-7,10-11,13H2,1H3,(H,26,27).
What are the key properties of 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 396.50 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 54583636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).