14-cyclopentyl-10-(2-oxo-1H-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

C22H18N4O4 — CID 71702081

IUPAC14-cyclopentyl-10-(2-oxo-1H-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(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C22H18N4O4/c27-12-7-8-13-15(10-12)30-19-16(14-6-3-9-23-21(14)28)17-20(24-18(13)19)26(25-22(17)29)11-4-1-2-5-11/h3,6-11,24H,1-2,4-5H2,(H,23,28)(H,25,29)
InChIKeyYQFYZSMRJGBDII-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.39
Rot. Bonds2

About 14-cyclopentyl-10-(2-oxo-1H-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-(2-oxo-1H-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 71702081) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 14-cyclopentyl-10-(2-oxo-1H-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-(2-oxo-1H-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 CID71702081
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name14-cyclopentyl-10-(2-oxo-1H-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(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C22H18N4O4/c27-12-7-8-13-15(10-12)30-19-16(14-6-3-9-23-21(14)28)17-20(24-18(13)19)26(25-22(17)29)11-4-1-2-5-11/h3,6-11,24H,1-2,4-5H2,(H,23,28)(H,25,29)
InChIKeyYQFYZSMRJGBDII-UHFFFAOYSA-N
XLogP3.39
TPSA116.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 14-cyclopentyl-10-(2-oxo-1H-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclooctyl-7-hydroxy-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701091
1-cyclopentyl-7-hydroxy-4-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701249
7-hydroxy-1-isopropyl-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701804
1-cycloheptyl-7-hydroxy-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702441
1-cyclohexyl-7-hydroxy-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702603
1-cyclopentyl-7-hydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702653
1-cyclopentyl-7-hydroxy-4-isobutyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703265
1-cyclohexyl-7-hydroxy-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71704746
1-cyclopentyl-7-hydroxy-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71706951
1-cyclooctyl-7-hydroxy-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71707744
1-cycloheptyl-7-hydroxy-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709966
6,7-dihydroxy-1-isopropyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71754545

Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-10-(2-oxo-1H-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-(2-oxo-1H-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 71702081) is 14-cyclopentyl-10-(2-oxo-1H-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-(2-oxo-1H-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-(2-oxo-1H-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(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclopentyl-10-(2-oxo-1H-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 YQFYZSMRJGBDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-12-7-8-13-15(10-12)30-19-16(14-6-3-9-23-21(14)28)17-20(24-18(13)19)26(25-22(17)29)11-4-1-2-5-11/h3,6-11,24H,1-2,4-5H2,(H,23,28)(H,25,29).
What are the key properties of 14-cyclopentyl-10-(2-oxo-1H-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-(2-oxo-1H-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 402.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-10-(2-oxo-1H-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 71702081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).