26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene

C31H22N2O — CID 168766309

IUPAC26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
SMILESCc1ccc(-c2ccc3c(c2)-c2c(C)c(cc4c2oc2ccccc24)-c2ccccc2N3)nc1
InChIInChI=1S/C31H22N2O/c1-18-11-13-26(32-17-18)20-12-14-28-25(15-20)30-19(2)23(21-7-3-5-9-27(21)33-28)16-24-22-8-4-6-10-29(22)34-31(24)30/h3-17,33H,1-2H3
InChIKeyOUZZYNOCDRKYRJ-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.66
Rot. Bonds1

About 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene

26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene (PubChem CID 168766309) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
PubChem CID168766309
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
SMILESCc1ccc(-c2ccc3c(c2)-c2c(C)c(cc4c2oc2ccccc24)-c2ccccc2N3)nc1
InChIInChI=1S/C31H22N2O/c1-18-11-13-26(32-17-18)20-12-14-28-25(15-20)30-19(2)23(21-7-3-5-9-27(21)33-28)16-24-22-8-4-6-10-29(22)34-31(24)30/h3-17,33H,1-2H3
InChIKeyOUZZYNOCDRKYRJ-UHFFFAOYSA-N
XLogP8.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

26-methyl-4-[5-(trideuteriomethyl)-2-pyridinyl]-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene
CID 168766340
26-methyl-4-pyridin-2-yl-23-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 168766430
26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
CID 168766417
trimethyl-[4-(5-methyl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 164796799
CID 168766293
CID 168766293
2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
CID 157495373
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
CID 58183919
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
CID 168766413
2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838316

Frequently Asked Questions

What is the IUPAC name of 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
The IUPAC name of 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene (CID 168766309) is 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene.
What is the SMILES notation for 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
The canonical SMILES for 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene is Cc1ccc(-c2ccc3c(c2)-c2c(C)c(cc4c2oc2ccccc24)-c2ccccc2N3)nc1.
What is the InChIKey of 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
The InChIKey is OUZZYNOCDRKYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O/c1-18-11-13-26(32-17-18)20-12-14-28-25(15-20)30-19(2)23(21-7-3-5-9-27(21)33-28)16-24-22-8-4-6-10-29(22)34-31(24)30/h3-17,33H,1-2H3.
What are the key properties of 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene has a molecular weight of 438.53 g/mol, XLogP of 8.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene is sourced from PubChem (CID 168766309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).