(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone

C23H30N4O2 — CID 46343915

IUPAC(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-18-8-10-19-16(15-18)7-9-20-21(19)24-25-22(20)23(28)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h8,10,15,17H,2-7,9,11-14H2,1H3,(H,24,25)
InChIKeyHDPXJQJGMVMZHS-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.27
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone (PubChem CID 46343915) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
PubChem CID46343915
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-18-8-10-19-16(15-18)7-9-20-21(19)24-25-22(20)23(28)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h8,10,15,17H,2-7,9,11-14H2,1H3,(H,24,25)
InChIKeyHDPXJQJGMVMZHS-UHFFFAOYSA-N
XLogP3.27
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone (CID 46343915) is (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
The InChIKey is HDPXJQJGMVMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-18-8-10-19-16(15-18)7-9-20-21(19)24-25-22(20)23(28)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h8,10,15,17H,2-7,9,11-14H2,1H3,(H,24,25).
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone is sourced from PubChem (CID 46343915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).