4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine

C24H24N6 — CID 54582676

IUPAC4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine
SMILESNC1CCC(n2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)
InChIKeyIITDRWYWCOFDCY-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.35
Rot. Bonds3

About 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine

4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine (PubChem CID 54582676) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine
PubChem CID54582676
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine
SMILESNC1CCC(n2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)
InChIKeyIITDRWYWCOFDCY-UHFFFAOYSA-N
XLogP4.35
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine (CID 54582676) is 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine is NC1CCC(n2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)n2)CC1.
What is the InChIKey of 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
The InChIKey is IITDRWYWCOFDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28).
What are the key properties of 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine has a molecular weight of 396.50 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 54582676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).