(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one

C24H26N6O2 — CID 155444797

IUPAC(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
SMILESCc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)Cn1c(nc3ccccc31)NC2=O
InChIInChI=1S/C24H26N6O2/c1-15-7-6-10-32-23-18(13-25-29(23)3)20-12-17(11-16(2)26-20)22(31)28-24-27-19-8-4-5-9-21(19)30(24)14-15/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,27,28,31)/t15-/m1/s1
InChIKeyKHVDGZRHSTVJLQ-OAHLLOKOSA-N
MW430.51 g/mol
LogP4.20
Rot. Bonds

About (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one

(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one (PubChem CID 155444797) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one.

Molecular Properties

Compound Name(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
PubChem CID155444797
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
SMILESCc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)Cn1c(nc3ccccc31)NC2=O
InChIInChI=1S/C24H26N6O2/c1-15-7-6-10-32-23-18(13-25-29(23)3)20-12-17(11-16(2)26-20)22(31)28-24-27-19-8-4-5-9-21(19)30(24)14-15/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,27,28,31)/t15-/m1/s1
InChIKeyKHVDGZRHSTVJLQ-OAHLLOKOSA-N
XLogP4.20
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
The IUPAC name of (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one (CID 155444797) is (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one.
What is the SMILES notation for (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
The canonical SMILES for (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one is Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)Cn1c(nc3ccccc31)NC2=O.
What is the InChIKey of (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
The InChIKey is KHVDGZRHSTVJLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-7-6-10-32-23-18(13-25-29(23)3)20-12-17(11-16(2)26-20)22(31)28-24-27-19-8-4-5-9-21(19)30(24)14-15/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,27,28,31)/t15-/m1/s1.
What are the key properties of (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one has a molecular weight of 430.51 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one is sourced from PubChem (CID 155444797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).