(7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one

C19H25N5O2 — CID 167230834

IUPAC(7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one
SMILESO=C1NCCCCCc2cccc(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1
InChIInChI=1S/C19H25N5O2/c25-19-20-10-3-1-2-5-14-6-4-7-17(21-14)22-18-12-16(23-24-18)13-8-9-15(11-13)26-19/h4,6-7,12-13,15H,1-3,5,8-11H2,(H,20,25)(H2,21,22,23,24)/t13-,15+/m0/s1
InChIKeyUWTDELSJNFJLQH-DZGCQCFKSA-N
MW355.44 g/mol
LogP3.64
Rot. Bonds

About (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one

(7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one (PubChem CID 167230834) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one.

Molecular Properties

Compound Name(7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one
PubChem CID167230834
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one
SMILESO=C1NCCCCCc2cccc(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1
InChIInChI=1S/C19H25N5O2/c25-19-20-10-3-1-2-5-14-6-4-7-17(21-14)22-18-12-16(23-24-18)13-8-9-15(11-13)26-19/h4,6-7,12-13,15H,1-3,5,8-11H2,(H,20,25)(H2,21,22,23,24)/t13-,15+/m0/s1
InChIKeyUWTDELSJNFJLQH-DZGCQCFKSA-N
XLogP3.64
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one?
The IUPAC name of (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one (CID 167230834) is (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one.
What is the SMILES notation for (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one?
The canonical SMILES for (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one is O=C1NCCCCCc2cccc(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1.
What is the InChIKey of (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one?
The InChIKey is UWTDELSJNFJLQH-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19-20-10-3-1-2-5-14-6-4-7-17(21-14)22-18-12-16(23-24-18)13-8-9-15(11-13)26-19/h4,6-7,12-13,15H,1-3,5,8-11H2,(H,20,25)(H2,21,22,23,24)/t13-,15+/m0/s1.
What are the key properties of (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one?
(7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one has a molecular weight of 355.44 g/mol, XLogP of 3.64, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-11-oxa-2,4,5,13,23-pentazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaen-12-one is sourced from PubChem (CID 167230834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).