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

C22H21N5O — CID 90292440

IUPAC5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one
SMILESCc1ccc(-c2cnn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)nc1
InChIInChI=1S/C22H21N5O/c1-14-3-6-19(24-11-14)15-9-22(28)27(25-12-15)16-4-5-17-18-13-23-8-7-20(18)26(2)21(17)10-16/h3-6,9-12,23H,7-8,13H2,1-2H3
InChIKeyOBVRPEUUIXFRHV-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.74
Rot. Bonds2

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

5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one (PubChem CID 90292440) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one
PubChem CID90292440
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one
SMILESCc1ccc(-c2cnn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)nc1
InChIInChI=1S/C22H21N5O/c1-14-3-6-19(24-11-14)15-9-22(28)27(25-12-15)16-4-5-17-18-13-23-8-7-20(18)26(2)21(17)10-16/h3-6,9-12,23H,7-8,13H2,1-2H3
InChIKeyOBVRPEUUIXFRHV-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-(5-methyl-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one
CID 67986811
4-(5-methyl-2-pyridinyl)-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 70805179
4-(5-methylpyrazin-2-yl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
CID 70995272
4-[4-(hydroxymethyl)-2-methylphenyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
CID 90292428
4-(5-chloro-2-pyridinyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one;4-(5-chloro-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;5-(4-methylphenyl)-2-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridazin-3-one;4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;2-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-5-phenylmethoxypyridazin-3-one
CID 160977774
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-(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-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-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657399
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
CID 159970322
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
1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride
CID 67971044

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one?
The IUPAC name of 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one (CID 90292440) is 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one.
What is the SMILES notation for 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one?
The canonical SMILES for 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one is Cc1ccc(-c2cnn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one?
The InChIKey is OBVRPEUUIXFRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-3-6-19(24-11-14)15-9-22(28)27(25-12-15)16-4-5-17-18-13-23-8-7-20(18)26(2)21(17)10-16/h3-6,9-12,23H,7-8,13H2,1-2H3.
What are the key properties of 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one?
5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-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 5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one is sourced from PubChem (CID 90292440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).