4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one

C22H25N5O — CID 67986811

IUPAC4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one
SMILESCc1ccc(N2CCN(c3ccc4c5c(n(C)c4c3)CCNC5)C(=O)C2)nc1
InChIInChI=1S/C22H25N5O/c1-15-3-6-21(24-12-15)26-9-10-27(22(28)14-26)16-4-5-17-18-13-23-8-7-19(18)25(2)20(17)11-16/h3-6,11-12,23H,7-10,13-14H2,1-2H3
InChIKeyUZQUIMWHHBYBGT-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.38
Rot. Bonds2

About 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one

4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one (PubChem CID 67986811) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one
PubChem CID67986811
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one
SMILESCc1ccc(N2CCN(c3ccc4c5c(n(C)c4c3)CCNC5)C(=O)C2)nc1
InChIInChI=1S/C22H25N5O/c1-15-3-6-21(24-12-15)26-9-10-27(22(28)14-26)16-4-5-17-18-13-23-8-7-19(18)25(2)20(17)11-16/h3-6,11-12,23H,7-10,13-14H2,1-2H3
InChIKeyUZQUIMWHHBYBGT-UHFFFAOYSA-N
XLogP2.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one (CID 67986811) is 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one is Cc1ccc(N2CCN(c3ccc4c5c(n(C)c4c3)CCNC5)C(=O)C2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one?
The InChIKey is UZQUIMWHHBYBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-3-6-21(24-12-15)26-9-10-27(22(28)14-26)16-4-5-17-18-13-23-8-7-19(18)25(2)20(17)11-16/h3-6,11-12,23H,7-10,13-14H2,1-2H3.
What are the key properties of 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one?
4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one has a molecular weight of 375.48 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one is sourced from PubChem (CID 67986811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).