(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

C22H20N4O2 — CID 159914326

IUPAC(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2)n[nH]1)CC3
InChIInChI=1S/C22H20N4O2/c1-28-15-7-8-18-16(11-15)17-13-26(10-9-19(17)23-18)22(27)21-12-20(24-25-21)14-5-3-2-4-6-14/h2-8,11-12,23H,9-10,13H2,1H3,(H,24,25)
InChIKeyNXOUVZRPQAICQD-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.77
Rot. Bonds3

About (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 159914326) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID159914326
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2)n[nH]1)CC3
InChIInChI=1S/C22H20N4O2/c1-28-15-7-8-18-16(11-15)17-13-26(10-9-19(17)23-18)22(27)21-12-20(24-25-21)14-5-3-2-4-6-14/h2-8,11-12,23H,9-10,13H2,1H3,(H,24,25)
InChIKeyNXOUVZRPQAICQD-UHFFFAOYSA-N
XLogP3.77
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 159914326) is (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone is COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2)n[nH]1)CC3.
What is the InChIKey of (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is NXOUVZRPQAICQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-15-7-8-18-16(11-15)17-13-26(10-9-19(17)23-18)22(27)21-12-20(24-25-21)14-5-3-2-4-6-14/h2-8,11-12,23H,9-10,13H2,1H3,(H,24,25).
What are the key properties of (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 159914326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).