4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one

C22H19ClN4O — CID 52947297

IUPAC4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)cc31)CCNC2
InChIInChI=1S/C22H19ClN4O/c1-26-20-11-16(3-4-17(20)18-6-8-24-13-21(18)26)27-9-7-14(10-22(27)28)19-5-2-15(23)12-25-19/h2-5,7,9-12,24H,6,8,13H2,1H3
InChIKeyOWNIXUOKCZCOOZ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.69
Rot. Bonds2

About 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one

4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one (PubChem CID 52947297) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
PubChem CID52947297
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)cc31)CCNC2
InChIInChI=1S/C22H19ClN4O/c1-26-20-11-16(3-4-17(20)18-6-8-24-13-21(18)26)27-9-7-14(10-22(27)28)19-5-2-15(23)12-25-19/h2-5,7,9-12,24H,6,8,13H2,1H3
InChIKeyOWNIXUOKCZCOOZ-UHFFFAOYSA-N
XLogP3.69
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.69
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-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one (CID 52947297) is 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)cc31)CCNC2.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The InChIKey is OWNIXUOKCZCOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-26-20-11-16(3-4-17(20)18-6-8-24-13-21(18)26)27-9-7-14(10-22(27)28)19-5-2-15(23)12-25-19/h2-5,7,9-12,24H,6,8,13H2,1H3.
What are the key properties of 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one has a molecular weight of 390.87 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 52947297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).