7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene

C24H17N3O — CID 164709252

IUPAC7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
SMILESCc1cnc(-c2cccc3c2oc2ccc4nc5ccccc5n4c23)cc1C
InChIInChI=1S/C24H17N3O/c1-14-12-19(25-13-15(14)2)16-6-5-7-17-23-21(28-24(16)17)10-11-22-26-18-8-3-4-9-20(18)27(22)23/h3-13H,1-2H3
InChIKeyJBNGLONSGSQVJV-UHFFFAOYSA-N
MW363.42 g/mol
LogP6.07
Rot. Bonds1

About 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene

7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene (PubChem CID 164709252) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
PubChem CID164709252
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
SMILESCc1cnc(-c2cccc3c2oc2ccc4nc5ccccc5n4c23)cc1C
InChIInChI=1S/C24H17N3O/c1-14-12-19(25-13-15(14)2)16-6-5-7-17-23-21(28-24(16)17)10-11-22-26-18-8-3-4-9-20(18)27(22)23/h3-13H,1-2H3
InChIKeyJBNGLONSGSQVJV-UHFFFAOYSA-N
XLogP6.07
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene with MolForge

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Related Compounds

18-(4,5-dimethyl-2-pyridinyl)-20-oxa-2,9,11-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14(19),15,17-nonaene
CID 164709431
4,5-dimethyl-2-(2-methyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)pyridine
CID 168829555
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
CID 168829258
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450257
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 176814936
10-(4,5-dimethyl-2-pyridinyl)-15,21-diphenyl-12-oxa-1,15,21-triazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6(11),7,9,16,18,20(28),22,24,26-dodecaene
CID 176796384
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362

Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
The IUPAC name of 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene (CID 164709252) is 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene.
What is the SMILES notation for 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
The canonical SMILES for 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene is Cc1cnc(-c2cccc3c2oc2ccc4nc5ccccc5n4c23)cc1C.
What is the InChIKey of 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
The InChIKey is JBNGLONSGSQVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c1-14-12-19(25-13-15(14)2)16-6-5-7-17-23-21(28-24(16)17)10-11-22-26-18-8-3-4-9-20(18)27(22)23/h3-13H,1-2H3.
What are the key properties of 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene has a molecular weight of 363.42 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dimethyl-2-pyridinyl)-9-oxa-1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene is sourced from PubChem (CID 164709252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).