6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one

C20H16N6O — CID 4677504

IUPAC6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one
SMILESCc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)NC(c1cccnc1)N3
InChIInChI=1S/C20H16N6O/c1-12-15-10-16-18(22-17(24-20(16)27)13-6-5-9-21-11-13)23-19(15)26(25-12)14-7-3-2-4-8-14/h2-11,17H,1H3,(H,22,23)(H,24,27)
InChIKeyOXTISBCHPQFTCH-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.98
Rot. Bonds2

About 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one

6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one (PubChem CID 4677504) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one
PubChem CID4677504
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one
SMILESCc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)NC(c1cccnc1)N3
InChIInChI=1S/C20H16N6O/c1-12-15-10-16-18(22-17(24-20(16)27)13-6-5-9-21-11-13)23-19(15)26(25-12)14-7-3-2-4-8-14/h2-11,17H,1H3,(H,22,23)(H,24,27)
InChIKeyOXTISBCHPQFTCH-UHFFFAOYSA-N
XLogP2.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one with MolForge

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Related Compounds

(12S)-6-methyl-4-phenyl-12-thiophen-2-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one
CID 135935747
6,10-dimethyl-12-phenyl-4-thia-2,5,11,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 639716
5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 5149967
13-methyl-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 164668894
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041
3-methyl-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247551
(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135906159
methyl (4R)-4-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7745749
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 55148884
2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol
CID 139193360
2-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,3-benzothiazole
CID 12786995
(2S)-6-oxo-3-phenyl-2-pyridin-3-yl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CID 943702

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one?
The IUPAC name of 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one (CID 4677504) is 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one.
What is the SMILES notation for 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one?
The canonical SMILES for 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one is Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)NC(c1cccnc1)N3.
What is the InChIKey of 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one?
The InChIKey is OXTISBCHPQFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-12-15-10-16-18(22-17(24-20(16)27)13-6-5-9-21-11-13)23-19(15)26(25-12)14-7-3-2-4-8-14/h2-11,17H,1H3,(H,22,23)(H,24,27).
What are the key properties of 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one?
6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one has a molecular weight of 356.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one is sourced from PubChem (CID 4677504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).