6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C27H22N4O5 — CID 71701189

IUPAC6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc(OCc4ccccn4)cc3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C27H22N4O5/c1-14(2)31-26-21(27(34)30-31)20(25-22(29-26)18-10-11-19(32)23(33)24(18)36-25)15-6-8-17(9-7-15)35-13-16-5-3-4-12-28-16/h3-12,14,29,33H,13H2,1-2H3,(H,30,34)
InChIKeyGVWDLQRBOWWPPO-UHFFFAOYSA-N
MW482.50 g/mol
LogP4.84
Rot. Bonds5

About 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 71701189) has the molecular formula C27H22N4O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 Name6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 CID71701189
Molecular FormulaC27H22N4O5
Molecular Weight482.50 g/mol
Exact Mass482.16
IUPAC Name6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc(OCc4ccccn4)cc3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C27H22N4O5/c1-14(2)31-26-21(27(34)30-31)20(25-22(29-26)18-10-11-19(32)23(33)24(18)36-25)15-6-8-17(9-7-15)35-13-16-5-3-4-12-28-16/h3-12,14,29,33H,13H2,1-2H3,(H,30,34)
InChIKeyGVWDLQRBOWWPPO-UHFFFAOYSA-N
XLogP4.84
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 71701189) is 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 CC(C)n1[nH]c(=O)c2c(-c3ccc(OCc4ccccn4)cc3)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 GVWDLQRBOWWPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O5/c1-14(2)31-26-21(27(34)30-31)20(25-22(29-26)18-10-11-19(32)23(33)24(18)36-25)15-6-8-17(9-7-15)35-13-16-5-3-4-12-28-16/h3-12,14,29,33H,13H2,1-2H3,(H,30,34).
What are the key properties of 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 482.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-14-propan-2-yl-10-[4-(pyridin-2-ylmethoxy)phenyl]-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 71701189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).