(11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one

C23H25N7O2 — CID 156529139

IUPAC(11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one
SMILESCc1ccc2nc3n(c2c1)C[C@H](C)CCCOc1c(cnn1C)-c1nccc(n1)C(=O)N3
InChIInChI=1S/C23H25N7O2/c1-14-6-7-17-19(11-14)30-13-15(2)5-4-10-32-22-16(12-25-29(22)3)20-24-9-8-18(26-20)21(31)28-23(30)27-17/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,27,28,31)/t15-/m1/s1
InChIKeyVMODSDQPZKJALW-OAHLLOKOSA-N
MW431.50 g/mol
LogP3.60
Rot. Bonds

About (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one

(11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one (PubChem CID 156529139) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one.

Molecular Properties

Compound Name(11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one
PubChem CID156529139
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name(11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one
SMILESCc1ccc2nc3n(c2c1)C[C@H](C)CCCOc1c(cnn1C)-c1nccc(n1)C(=O)N3
InChIInChI=1S/C23H25N7O2/c1-14-6-7-17-19(11-14)30-13-15(2)5-4-10-32-22-16(12-25-29(22)3)20-24-9-8-18(26-20)21(31)28-23(30)27-17/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,27,28,31)/t15-/m1/s1
InChIKeyVMODSDQPZKJALW-OAHLLOKOSA-N
XLogP3.60
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(11R)-5,11,26-trimethyl-23-oxo-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(19),15,17,20,24(28),25-nonaene-16-carbaldehyde
CID 170185319
(11R)-5,11,26-trimethyl-16-(4-oxopiperidin-1-yl)-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(19),15,17,20,24(28),25-nonaen-23-one
CID 170185638
(11R)-5,11,26-trimethyl-16-[(4-methylpiperazin-1-yl)methyl]-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(19),15,17,20,24(28),25-nonaen-23-one
CID 139600318
(11R)-17-(methoxymethyl)-5,11,26-trimethyl-16-propan-2-yl-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(19),15,17,20,24(28),25-nonaen-23-one
CID 170184616
(11R)-5-cyclopropyl-11,26-dimethyl-16-propan-2-yl-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(19),15,17,20,24(28),25-nonaen-23-one
CID 170184607
(11R)-11-ethyl-5,26-dimethyl-16-(4-methylpiperazin-1-yl)-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(19),15,17,20,24(28),25-nonaen-23-one
CID 155444952
(3R)-3-[2,6-difluoro-4-[2-[3-[[(11R)-5,11,26-trimethyl-23-oxo-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(19),15,17,20,24(28),25-nonaen-16-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]phenyl]piperidine-2,6-dione
CID 170184977
(3R)-3-[2,6-difluoro-4-[4-[4-[(11R)-5,11,26-trimethyl-23-oxo-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(19),15,17,20,24(28),25-nonaen-16-yl]piperidin-1-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170185133
(3R)-3-[2,6-difluoro-4-[4-[4-[(11R)-5,11,26-trimethyl-23-oxo-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(19),15,17,20,24(28),25-nonaene-16-carbonyl]piperazin-1-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170185548
(3R)-3-[2,6-difluoro-4-[2-[(3S)-3-methyl-4-[[(11R)-5,11,26-trimethyl-23-oxo-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(19),15,17,20,24(28),25-nonaen-16-yl]methyl]piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
CID 170184989
(11S)-11-cyclopropyl-16-[4-(dimethylamino)but-1-enyl]-5,26-dimethyl-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(19),15,17,20,24(28),25-nonaen-23-one
CID 175680462
(3R)-3-[4-[4-[(2R,5R)-2,5-dimethyl-4-[(11R)-5,11,26-trimethyl-23-oxo-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(19),15,17,20,24(28),25-nonaen-16-yl]piperazin-1-yl]piperidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 170185180

Frequently Asked Questions

What is the IUPAC name of (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one?
The IUPAC name of (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one (CID 156529139) is (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one.
What is the SMILES notation for (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one?
The canonical SMILES for (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one is Cc1ccc2nc3n(c2c1)C[C@H](C)CCCOc1c(cnn1C)-c1nccc(n1)C(=O)N3.
What is the InChIKey of (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one?
The InChIKey is VMODSDQPZKJALW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14-6-7-17-19(11-14)30-13-15(2)5-4-10-32-22-16(12-25-29(22)3)20-24-9-8-18(26-20)21(31)28-23(30)27-17/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,27,28,31)/t15-/m1/s1.
What are the key properties of (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one?
(11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one has a molecular weight of 431.50 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-5,11,16-trimethyl-7-oxa-4,5,13,20,22,27,28-heptazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-23-one is sourced from PubChem (CID 156529139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).