14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C22H18N4O3 — CID 71703929

IUPAC14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(c1)oc1c(-c3cccnc3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C22H18N4O3/c27-14-7-8-15-16(10-14)29-20-17(12-4-3-9-23-11-12)18-21(24-19(15)20)26(25-22(18)28)13-5-1-2-6-13/h3-4,7-11,13,24H,1-2,5-6H2,(H,25,28)
InChIKeyOWWAMZNKJKNTJQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.09
Rot. Bonds2

About 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71703929) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71703929
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(c1)oc1c(-c3cccnc3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C22H18N4O3/c27-14-7-8-15-16(10-14)29-20-17(12-4-3-9-23-11-12)18-21(24-19(15)20)26(25-22(18)28)13-5-1-2-6-13/h3-4,7-11,13,24H,1-2,5-6H2,(H,25,28)
InChIKeyOWWAMZNKJKNTJQ-UHFFFAOYSA-N
XLogP4.09
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71703929) is 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is O=c1ccc2c(c1)oc1c(-c3cccnc3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is OWWAMZNKJKNTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-14-7-8-15-16(10-14)29-20-17(12-4-3-9-23-11-12)18-21(24-19(15)20)26(25-22(18)28)13-5-1-2-6-13/h3-4,7-11,13,24H,1-2,5-6H2,(H,25,28).
What are the key properties of 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 386.41 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-10-pyridin-3-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71703929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).