14-cyclopentyl-6-methyl-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

C23H20N4O3 — CID 71708970

IUPAC14-cyclopentyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3cccnc3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C23H20N4O3/c1-12-16(28)9-8-15-19-21(30-20(12)15)17(13-5-4-10-24-11-13)18-22(25-19)27(26-23(18)29)14-6-2-3-7-14/h4-5,8-11,14,25H,2-3,6-7H2,1H3,(H,26,29)
InChIKeyGSEXTYFPWKGWJG-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.40
Rot. Bonds2

About 14-cyclopentyl-6-methyl-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-methyl-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 71708970) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 14-cyclopentyl-6-methyl-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-methyl-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 CID71708970
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name14-cyclopentyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3cccnc3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C23H20N4O3/c1-12-16(28)9-8-15-19-21(30-20(12)15)17(13-5-4-10-24-11-13)18-22(25-19)27(26-23(18)29)14-6-2-3-7-14/h4-5,8-11,14,25H,2-3,6-7H2,1H3,(H,26,29)
InChIKeyGSEXTYFPWKGWJG-UHFFFAOYSA-N
XLogP4.40
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14-cyclopentyl-6-methyl-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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Related Compounds

5-Phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
CID 11841202
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-6,7-dihydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701803
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-7-hydroxy-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71705079
1-cyclohexyl-7-hydroxy-6-methyl-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71705460
1-cyclohexyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71706484
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-cyclohexyl-7-hydroxy-6-methyl-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709436
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

Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-6-methyl-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-methyl-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 71708970) is 14-cyclopentyl-6-methyl-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-methyl-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-methyl-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 Cc1c(=O)ccc2c1oc1c(-c3cccnc3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclopentyl-6-methyl-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 GSEXTYFPWKGWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-12-16(28)9-8-15-19-21(30-20(12)15)17(13-5-4-10-24-11-13)18-22(25-19)27(26-23(18)29)14-6-2-3-7-14/h4-5,8-11,14,25H,2-3,6-7H2,1H3,(H,26,29).
What are the key properties of 14-cyclopentyl-6-methyl-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-methyl-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 400.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-6-methyl-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 71708970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).