6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one

C25H28N4O — CID 155194450

IUPAC6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one
SMILESCC(C1CC1)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1
InChIInChI=1S/C25H28N4O/c1-16(18-5-6-18)28-11-9-20(10-12-28)29-15-17(14-26-29)13-19-7-8-23-24-21(19)3-2-4-22(24)25(30)27-23/h2-4,7-8,14-16,18,20H,5-6,9-13H2,1H3,(H,27,30)
InChIKeyKICWDIHIFROINP-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.63
Rot. Bonds5

About 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one

6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one (PubChem CID 155194450) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one
PubChem CID155194450
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one
SMILESCC(C1CC1)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1
InChIInChI=1S/C25H28N4O/c1-16(18-5-6-18)28-11-9-20(10-12-28)29-15-17(14-26-29)13-19-7-8-23-24-21(19)3-2-4-22(24)25(30)27-23/h2-4,7-8,14-16,18,20H,5-6,9-13H2,1H3,(H,27,30)
InChIKeyKICWDIHIFROINP-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one (CID 155194450) is 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one is CC(C1CC1)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.
What is the InChIKey of 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one?
The InChIKey is KICWDIHIFROINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-16(18-5-6-18)28-11-9-20(10-12-28)29-15-17(14-26-29)13-19-7-8-23-24-21(19)3-2-4-22(24)25(30)27-23/h2-4,7-8,14-16,18,20H,5-6,9-13H2,1H3,(H,27,30).
What are the key properties of 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one?
6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one has a molecular weight of 400.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(1-cyclopropylethyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 155194450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).