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

C23H23N5O — CID 70805179

IUPAC4-(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
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4n3)CCCNC5)c(=O)c2)nc1
InChIInChI=1S/C23H23N5O/c1-15-5-7-19(25-13-15)16-9-11-28(22(29)12-16)21-8-6-17-18-14-24-10-3-4-20(18)27(2)23(17)26-21/h5-9,11-13,24H,3-4,10,14H2,1-2H3
InChIKeyARZYKPOLFCOOCN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.13
Rot. Bonds2

About 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

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 (PubChem CID 70805179) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID70805179
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-(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
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4n3)CCCNC5)c(=O)c2)nc1
InChIInChI=1S/C23H23N5O/c1-15-5-7-19(25-13-15)16-9-11-28(22(29)12-16)21-8-6-17-18-14-24-10-3-4-20(18)27(2)23(17)26-21/h5-9,11-13,24H,3-4,10,14H2,1-2H3
InChIKeyARZYKPOLFCOOCN-UHFFFAOYSA-N
XLogP3.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
4-[(5-fluoro-2-pyridinyl)methoxy]-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 66873578
5-(5-methyl-2-pyridinyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one
CID 90292440
tert-butyl 8-methyl-5-[2-oxo-4-[5-(trifluoromethyl)-2-pyridinyl]-1-pyridinyl]-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-12-carboxylate
CID 66873953
4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride
CID 67970814
1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 162562317
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
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-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 66719109
4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
CID 90207377
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4n3)CCCNC5)c(=O)c2)nc1.
What is the InChIKey of 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?
The InChIKey is ARZYKPOLFCOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-5-7-19(25-13-15)16-9-11-28(22(29)12-16)21-8-6-17-18-14-24-10-3-4-20(18)27(2)23(17)26-21/h5-9,11-13,24H,3-4,10,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 385.47 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70805179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).