19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene

C35H26N2O — CID 164803230

IUPAC19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1cccc2c4cc(-c5cc(CC6CCCC6)ccn5)ccc4n3c21
InChIInChI=1S/C35H26N2O/c1-2-7-21(6-1)16-22-14-15-36-30(17-22)23-12-13-31-27(18-23)25-9-5-10-26-28-19-29-24-8-3-4-11-33(24)38-34(29)20-32(28)37(31)35(25)26/h3-5,8-15,17-21H,1-2,6-7,16H2
InChIKeyGZOTXKCKRMBRIV-UHFFFAOYSA-N
MW490.61 g/mol
LogP9.53
Rot. Bonds3

About 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene

19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene (PubChem CID 164803230) has the molecular formula C35H26N2O and a molecular weight of 490.61 g/mol. Its IUPAC name is 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene.

Molecular Properties

Compound Name19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
PubChem CID164803230
Molecular FormulaC35H26N2O
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1cccc2c4cc(-c5cc(CC6CCCC6)ccn5)ccc4n3c21
InChIInChI=1S/C35H26N2O/c1-2-7-21(6-1)16-22-14-15-36-30(17-22)23-12-13-31-27(18-23)25-9-5-10-26-28-19-29-24-8-3-4-11-33(24)38-34(29)20-32(28)37(31)35(25)26/h3-5,8-15,17-21H,1-2,6-7,16H2
InChIKeyGZOTXKCKRMBRIV-UHFFFAOYSA-N
XLogP9.53
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene with MolForge

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Related Compounds

4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
CID 166575549
26-oxa-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,20,22,24,27-tetradecaene
CID 146376243
19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 148570341
19-(4-tert-butyl-2-pyridinyl)-10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16(21),17,19,22(26),23-dodecaene
CID 164803201
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium
CID 162709864
32-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.07,12.028,42.029,41.031,39.033,38.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16(43),17,19,21,24(42),25,27,29(41),30,33,35,37,39-icosaene
CID 162480265
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946

Frequently Asked Questions

What is the IUPAC name of 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?
The IUPAC name of 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene (CID 164803230) is 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene.
What is the SMILES notation for 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?
The canonical SMILES for 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene is c1ccc2c(c1)oc1cc3c(cc12)c1cccc2c4cc(-c5cc(CC6CCCC6)ccn5)ccc4n3c21.
What is the InChIKey of 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?
The InChIKey is GZOTXKCKRMBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O/c1-2-7-21(6-1)16-22-14-15-36-30(17-22)23-12-13-31-27(18-23)25-9-5-10-26-28-19-29-24-8-3-4-11-33(24)38-34(29)20-32(28)37(31)35(25)26/h3-5,8-15,17-21H,1-2,6-7,16H2.
What are the key properties of 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?
19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene has a molecular weight of 490.61 g/mol, XLogP of 9.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene is sourced from PubChem (CID 164803230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).