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

C23H16N4O — CID 164709431

IUPAC18-(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
SMILESCc1cnc(-c2cccc3c2oc2c3cnc3nc4ccccc4n32)cc1C
InChIInChI=1S/C23H16N4O/c1-13-10-19(24-11-14(13)2)16-7-5-6-15-17-12-25-23-26-18-8-3-4-9-20(18)27(23)22(17)28-21(15)16/h3-12H,1-2H3
InChIKeyWCVXWGXPNZBTSS-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.46
Rot. Bonds1

About 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

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 (PubChem CID 164709431) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-(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
PubChem CID164709431
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name18-(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
SMILESCc1cnc(-c2cccc3c2oc2c3cnc3nc4ccccc4n32)cc1C
InChIInChI=1S/C23H16N4O/c1-13-10-19(24-11-14(13)2)16-7-5-6-15-17-12-25-23-26-18-8-3-4-9-20(18)27(23)22(17)28-21(15)16/h3-12H,1-2H3
InChIKeyWCVXWGXPNZBTSS-UHFFFAOYSA-N
XLogP5.46
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
5-tert-butyl-18-[6-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-2-pyridinyl]-20-oxa-2,9,11-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,9,11,14(19),15,17-nonaene
CID 164709257
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
CID 168829258
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
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
4,5-dimethyl-2-(2-methyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)pyridine
CID 168829555
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
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 176779290
2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 164760528
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450230

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(-c2cccc3c2oc2c3cnc3nc4ccccc4n32)cc1C.
What is the InChIKey of 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?
The InChIKey is WCVXWGXPNZBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c1-13-10-19(24-11-14(13)2)16-7-5-6-15-17-12-25-23-26-18-8-3-4-9-20(18)27(23)22(17)28-21(15)16/h3-12H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 364.41 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164709431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).