14-cycloheptyl-6-methyl-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

C25H24N4O4 — CID 71702441

IUPAC14-cycloheptyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12
InChIInChI=1S/C25H24N4O4/c1-13-17(30)11-10-16-20-22(33-21(13)16)18(15-9-6-12-26-24(15)31)19-23(27-20)29(28-25(19)32)14-7-4-2-3-5-8-14/h6,9-12,14,27H,2-5,7-8H2,1H3,(H,26,31)(H,28,32)
InChIKeyQDVXZOJYUMMALJ-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.48
Rot. Bonds2

About 14-cycloheptyl-6-methyl-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-cycloheptyl-6-methyl-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 71702441) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 14-cycloheptyl-6-methyl-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-cycloheptyl-6-methyl-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 CID71702441
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name14-cycloheptyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12
InChIInChI=1S/C25H24N4O4/c1-13-17(30)11-10-16-20-22(33-21(13)16)18(15-9-6-12-26-24(15)31)19-23(27-20)29(28-25(19)32)14-7-4-2-3-5-8-14/h6,9-12,14,27H,2-5,7-8H2,1H3,(H,26,31)(H,28,32)
InChIKeyQDVXZOJYUMMALJ-UHFFFAOYSA-N
XLogP4.48
TPSA116.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 14-cycloheptyl-6-methyl-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

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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
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-cyclopentyl-7-hydroxy-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702081
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-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-cycloheptyl-7-hydroxy-4-isopropyl-6-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71704911
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-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709120
1-cycloheptyl-7-hydroxy-4-isobutyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709656
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
1-cycloheptyl-7-hydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71710146

Frequently Asked Questions

What is the IUPAC name of 14-cycloheptyl-6-methyl-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-cycloheptyl-6-methyl-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 71702441) is 14-cycloheptyl-6-methyl-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-cycloheptyl-6-methyl-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-cycloheptyl-6-methyl-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 Cc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12.
What is the InChIKey of 14-cycloheptyl-6-methyl-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 QDVXZOJYUMMALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-13-17(30)11-10-16-20-22(33-21(13)16)18(15-9-6-12-26-24(15)31)19-23(27-20)29(28-25(19)32)14-7-4-2-3-5-8-14/h6,9-12,14,27H,2-5,7-8H2,1H3,(H,26,31)(H,28,32).
What are the key properties of 14-cycloheptyl-6-methyl-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-cycloheptyl-6-methyl-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 444.49 g/mol, XLogP of 4.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cycloheptyl-6-methyl-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 71702441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).