17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C23H14N2O — CID 176783543

IUPAC17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc3c(c2)[nH]c2ccc4oc5ccccc5c4c23)nc1
InChIInChI=1S/C23H14N2O/c1-2-7-20-16(5-1)23-21(26-20)11-10-18-22(23)15-9-8-14(13-19(15)25-18)17-6-3-4-12-24-17/h1-13,25H
InChIKeyJWFNLJCISFHTCD-UHFFFAOYSA-N
MW334.38 g/mol
LogP6.28
Rot. Bonds1

About 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 176783543) has the molecular formula C23H14N2O and a molecular weight of 334.38 g/mol. Its IUPAC name is 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID176783543
Molecular FormulaC23H14N2O
Molecular Weight334.38 g/mol
Exact Mass334.11
IUPAC Name17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc3c(c2)[nH]c2ccc4oc5ccccc5c4c23)nc1
InChIInChI=1S/C23H14N2O/c1-2-7-20-16(5-1)23-21(26-20)11-10-18-22(23)15-9-8-14(13-19(15)25-18)17-6-3-4-12-24-17/h1-13,25H
InChIKeyJWFNLJCISFHTCD-UHFFFAOYSA-N
XLogP6.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

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Related Compounds

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CID 142744192
20-pyridin-2-yl-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 126718360
18-pyridin-2-yl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 126621737
2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
CID 140814590
5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 137392078
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
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CID 90140834
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
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2-(7-methyldibenzofuran-3-yl)pyridine
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4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
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8-pyridin-2-yldibenzofuran-3-carbonitrile
CID 155042702
18-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621732

Frequently Asked Questions

What is the IUPAC name of 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 176783543) is 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc(-c2ccc3c(c2)[nH]c2ccc4oc5ccccc5c4c23)nc1.
What is the InChIKey of 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is JWFNLJCISFHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O/c1-2-7-20-16(5-1)23-21(26-20)11-10-18-22(23)15-9-8-14(13-19(15)25-18)17-6-3-4-12-24-17/h1-13,25H.
What are the key properties of 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 334.38 g/mol, XLogP of 6.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 176783543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).