14-cyclopentyl-6-hydroxy-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

C22H18N4O4 — CID 71701803

IUPAC14-cyclopentyl-6-hydroxy-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(oc3c(-c4cccnc4)c4c(=O)[nH]n(C5CCCC5)c4[nH]c32)c1O
InChIInChI=1S/C22H18N4O4/c27-14-8-7-13-17-20(30-19(13)18(14)28)15(11-4-3-9-23-10-11)16-21(24-17)26(25-22(16)29)12-5-1-2-6-12/h3-4,7-10,12,24,28H,1-2,5-6H2,(H,25,29)
InChIKeyKEFMFLBCSIRTLS-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.80
Rot. Bonds2

About 14-cyclopentyl-6-hydroxy-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-6-hydroxy-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 71701803) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 14-cyclopentyl-6-hydroxy-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-6-hydroxy-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 CID71701803
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name14-cyclopentyl-6-hydroxy-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(oc3c(-c4cccnc4)c4c(=O)[nH]n(C5CCCC5)c4[nH]c32)c1O
InChIInChI=1S/C22H18N4O4/c27-14-8-7-13-17-20(30-19(13)18(14)28)15(11-4-3-9-23-10-11)16-21(24-17)26(25-22(16)29)12-5-1-2-6-12/h3-4,7-10,12,24,28H,1-2,5-6H2,(H,25,29)
InChIKeyKEFMFLBCSIRTLS-UHFFFAOYSA-N
XLogP3.80
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 14-cyclopentyl-6-hydroxy-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

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

Launch Full Analysis

Related Compounds

7-hydroxy-1-isopropyl-6-methyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71700448
1-cyclopentyl-7-hydroxy-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701391
1-cyclopentyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703898
1-cyclopentyl-7-hydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703929
1-cycloheptyl-6,7-dihydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71708770
1-cyclopentyl-7-hydroxy-6-methyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71708970
1-cyclooctyl-7-hydroxy-6-methyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709620
1-cycloheptyl-7-hydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71754029
1-cyclohexyl-7-hydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71754200
7-hydroxy-1-isopropyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71754298
1-cyclooctyl-7-hydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71754373
6,7-dihydroxy-1-isopropyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71754483

Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-6-hydroxy-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-6-hydroxy-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 71701803) is 14-cyclopentyl-6-hydroxy-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-6-hydroxy-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-6-hydroxy-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(oc3c(-c4cccnc4)c4c(=O)[nH]n(C5CCCC5)c4[nH]c32)c1O.
What is the InChIKey of 14-cyclopentyl-6-hydroxy-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 KEFMFLBCSIRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-14-8-7-13-17-20(30-19(13)18(14)28)15(11-4-3-9-23-10-11)16-21(24-17)26(25-22(16)29)12-5-1-2-6-12/h3-4,7-10,12,24,28H,1-2,5-6H2,(H,25,29).
What are the key properties of 14-cyclopentyl-6-hydroxy-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-6-hydroxy-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 402.41 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-6-hydroxy-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 71701803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).