6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole

C25H24N6 — CID 54583637

IUPAC6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1cc(-c2nn(C3CC4CCC(C3)N4)cc2-c2ccc3c(c2)Cc2cn[nH]c2-3)ccn1
InChIInChI=1S/C25H24N6/c1-4-22-17(10-18-13-27-29-24(18)22)9-16(1)23-14-31(21-11-19-2-3-20(12-21)28-19)30-25(23)15-5-7-26-8-6-15/h1,4-9,13-14,19-21,28H,2-3,10-12H2,(H,27,29)
InChIKeyIUXJVYUKPTXHGQ-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.36
Rot. Bonds3

About 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole

6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 54583637) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID54583637
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1cc(-c2nn(C3CC4CCC(C3)N4)cc2-c2ccc3c(c2)Cc2cn[nH]c2-3)ccn1
InChIInChI=1S/C25H24N6/c1-4-22-17(10-18-13-27-29-24(18)22)9-16(1)23-14-31(21-11-19-2-3-20(12-21)28-19)30-25(23)15-5-7-26-8-6-15/h1,4-9,13-14,19-21,28H,2-3,10-12H2,(H,27,29)
InChIKeyIUXJVYUKPTXHGQ-UHFFFAOYSA-N
XLogP4.36
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole (CID 54583637) is 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole is c1cc(-c2nn(C3CC4CCC(C3)N4)cc2-c2ccc3c(c2)Cc2cn[nH]c2-3)ccn1.
What is the InChIKey of 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is IUXJVYUKPTXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-4-22-17(10-18-13-27-29-24(18)22)9-16(1)23-14-31(21-11-19-2-3-20(12-21)28-19)30-25(23)15-5-7-26-8-6-15/h1,4-9,13-14,19-21,28H,2-3,10-12H2,(H,27,29).
What are the key properties of 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 408.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-4-ylpyrazol-4-yl]-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 54583637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).