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

C22H21N5O — CID 70995272

IUPAC4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCc1cnc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cn1
InChIInChI=1S/C22H21N5O/c1-14-11-25-19(12-24-14)15-6-8-27(22(28)9-15)16-3-4-17-18-5-7-23-13-21(18)26(2)20(17)10-16/h3-4,6,8-12,23H,5,7,13H2,1-2H3
InChIKeyZLKQLPLYAAPXFH-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.74
Rot. Bonds2

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

4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one (PubChem CID 70995272) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
PubChem CID70995272
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCc1cnc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cn1
InChIInChI=1S/C22H21N5O/c1-14-11-25-19(12-24-14)15-6-8-27(22(28)9-15)16-3-4-17-18-5-7-23-13-21(18)26(2)20(17)10-16/h3-4,6,8-12,23H,5,7,13H2,1-2H3
InChIKeyZLKQLPLYAAPXFH-UHFFFAOYSA-N
XLogP2.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride
CID 68657559
1-(10-ethyl-2,3,4,5-tetrahydro-1H-azepino[3,4-b]indol-8-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 163425163
5-methyl-7-[4-(6-methyl-3-pyridinyl)-2-oxo-1-pyridinyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole-3-carboxylic acid
CID 175266478
5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one
CID 90292440
4-(5-chloro-2-pyridinyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657578
4-[4-(hydroxymethyl)-2-methylphenyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
CID 90292428
tert-butyl 9-methyl-7-[4-(5-methyl-2-pyridinyl)-2-oxo-1-pyridinyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
CID 70583041
4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
CID 90207377
4-(5-methyl-2-pyridinyl)-1-(2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-c]azepin-8-yl)pyridin-2-one
CID 90207399
1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 70823054
1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride
CID 169428691
4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one
CID 59636694

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one (CID 70995272) is 4-(5-methylpyrazin-2-yl)-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-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one is Cc1cnc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cn1.
What is the InChIKey of 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The InChIKey is ZLKQLPLYAAPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-11-25-19(12-24-14)15-6-8-27(22(28)9-15)16-3-4-17-18-5-7-23-13-21(18)26(2)20(17)10-16/h3-4,6,8-12,23H,5,7,13H2,1-2H3.
What are the key properties of 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one has a molecular weight of 371.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 70995272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).