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

C31H22N2O — CID 168766340

IUPAC26-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
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)-c2cc4c(oc5ccccc54)c(c2C)-c2ccccc2N3)nc1
InChIInChI=1S/C31H22N2O/c1-18-11-13-26(32-17-18)20-12-14-28-24(15-20)23-16-25-21-7-4-6-10-29(21)34-31(25)30(19(23)2)22-8-3-5-9-27(22)33-28/h3-17,33H,1-2H3/i1D3
InChIKeyCRRHZELPMOTUEI-FIBGUPNXSA-N
MW441.55 g/mol
LogP8.66
Rot. Bonds2

About 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

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 (PubChem CID 168766340) has the molecular formula C31H22N2O and a molecular weight of 441.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name26-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
PubChem CID168766340
Molecular FormulaC31H22N2O
Molecular Weight441.55 g/mol
Exact Mass441.19
IUPAC Name26-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
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)-c2cc4c(oc5ccccc54)c(c2C)-c2ccccc2N3)nc1
InChIInChI=1S/C31H22N2O/c1-18-11-13-26(32-17-18)20-12-14-28-24(15-20)23-16-25-21-7-4-6-10-29(21)34-31(25)30(19(23)2)22-8-3-5-9-27(22)33-28/h3-17,33H,1-2H3/i1D3
InChIKeyCRRHZELPMOTUEI-FIBGUPNXSA-N
XLogP8.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
CID 157495373
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
CID 168766247
CID 168766247
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
19-[5-(trideuteriomethyl)-2-pyridinyl]-4-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.05,10.016,21.022,26]hexacosa-1(25),2(14),3(11),5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 164803382
trimethyl-[4-(5-methyl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 164796799
CID 168766293
CID 168766293
CID 168766304
CID 168766304
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
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
16-[3-[5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14(19),15,17,20-decaene
CID 161477580

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)-c2cc4c(oc5ccccc54)c(c2C)-c2ccccc2N3)nc1.
What is the InChIKey of 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?
The InChIKey is CRRHZELPMOTUEI-FIBGUPNXSA-N. The full InChI is InChI=1S/C31H22N2O/c1-18-11-13-26(32-17-18)20-12-14-28-24(15-20)23-16-25-21-7-4-6-10-29(21)34-31(25)30(19(23)2)22-8-3-5-9-27(22)33-28/h3-17,33H,1-2H3/i1D3.
What are the key properties of 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?
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 has a molecular weight of 441.55 g/mol, XLogP of 8.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168766340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).