3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one

C26H24N6O — CID 127052113

IUPAC3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
SMILESCN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1
InChIInChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
InChIKeyJRJKATLTRNXYCE-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.58
Rot. Bonds6

About 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one

3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one (PubChem CID 127052113) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
PubChem CID127052113
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
SMILESCN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1
InChIInChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
InChIKeyJRJKATLTRNXYCE-UHFFFAOYSA-N
XLogP4.58
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one (CID 127052113) is 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one is CN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
The InChIKey is JRJKATLTRNXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one has a molecular weight of 436.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one is sourced from PubChem (CID 127052113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).