10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione

C22H24N6O6 — CID 86299640

IUPAC10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
SMILESO=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1co2
InChIInChI=1S/C22H24N6O6/c29-20-17-13-34-22(26-17)14-1-4-23-18(11-14)33-10-9-32-8-5-24-21(30)19-16(25-20)12-28(27-19)15-2-6-31-7-3-15/h1,4,11-13,15H,2-3,5-10H2,(H,24,30)(H,25,29)
InChIKeyQBRZHUUGEXCWBE-UHFFFAOYSA-N
MW468.47 g/mol
LogP1.68
Rot. Bonds1

About 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione

10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione (PubChem CID 86299640) has the molecular formula C22H24N6O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione.

Molecular Properties

Compound Name10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
PubChem CID86299640
Molecular FormulaC22H24N6O6
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC Name10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
SMILESO=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1co2
InChIInChI=1S/C22H24N6O6/c29-20-17-13-34-22(26-17)14-1-4-23-18(11-14)33-10-9-32-8-5-24-21(30)19-16(25-20)12-28(27-19)15-2-6-31-7-3-15/h1,4,11-13,15H,2-3,5-10H2,(H,24,30)(H,25,29)
InChIKeyQBRZHUUGEXCWBE-UHFFFAOYSA-N
XLogP1.68
TPSA142.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione with MolForge

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Related Compounds

N-(3-carbamoyl-1-pyridin-3-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118719435
AS2444697
CID 52913874
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118719436
N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162627
N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CID 118719434
N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 126842421
5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126842420
5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654243
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 68377524
N-[3-carbamoyl-1-(2-methoxyethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 68377612
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-[2-(hydroxymethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 68377868
N-(5-carbamoyl-1H-pyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 68377884

Frequently Asked Questions

What is the IUPAC name of 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
The IUPAC name of 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione (CID 86299640) is 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione.
What is the SMILES notation for 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
The canonical SMILES for 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione is O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1co2.
What is the InChIKey of 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
The InChIKey is QBRZHUUGEXCWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O6/c29-20-17-13-34-22(26-17)14-1-4-23-18(11-14)33-10-9-32-8-5-24-21(30)19-16(25-20)12-28(27-19)15-2-6-31-7-3-15/h1,4,11-13,15H,2-3,5-10H2,(H,24,30)(H,25,29).
What are the key properties of 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione has a molecular weight of 468.47 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxan-4-yl)-3,17,20-trioxa-7,10,11,14,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione is sourced from PubChem (CID 86299640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).