(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

C27H31ClN6O6 — CID 137337062

IUPAC(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)c1c[nH]c(=O)c(Cl)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C27H31ClN6O6/c1-16(2)23-26(37)30-7-9-33-8-6-29-24(33)17-4-5-20(39-3)21(13-17)40-11-10-34(15-22(35)32-23)27(38)18-12-19(28)25(36)31-14-18/h4-6,8,12-14,16,23H,7,9-11,15H2,1-3H3,(H,30,37)(H,31,36)(H,32,35)/t23-/m1/s1
InChIKeyPEZXYMAMNBIFNO-HSZRJFAPSA-N
MW571.03 g/mol
LogP1.69
Rot. Bonds3

About (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (PubChem CID 137337062) has the molecular formula C27H31ClN6O6 and a molecular weight of 571.03 g/mol. Its IUPAC name is (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
PubChem CID137337062
Molecular FormulaC27H31ClN6O6
Molecular Weight571.03 g/mol
Exact Mass570.20
IUPAC Name(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)c1c[nH]c(=O)c(Cl)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C27H31ClN6O6/c1-16(2)23-26(37)30-7-9-33-8-6-29-24(33)17-4-5-20(39-3)21(13-17)40-11-10-34(15-22(35)32-23)27(38)18-12-19(28)25(36)31-14-18/h4-6,8,12-14,16,23H,7,9-11,15H2,1-3H3,(H,30,37)(H,31,36)(H,32,35)/t23-/m1/s1
InChIKeyPEZXYMAMNBIFNO-HSZRJFAPSA-N
XLogP1.69
TPSA147.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.03
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione with MolForge

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Related Compounds

(11R)-20-methoxy-15-(6-oxo-1H-pyrazine-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135099903
(11R)-15-[(2R)-2-hydroxypropanoyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 137343321
(11R)-15-(2,3-dimethylquinoxaline-6-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135095952
(11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 137288336
(11R)-15-(4-butylbenzoyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135119832
(11R)-15-(4-hydroxycyclohexanecarbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135110225
(11R)-20-methoxy-15-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135116079
(12R)-22-methoxy-12-propan-2-yl-16-(pyridine-2-carbonyl)-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157017326
methyl 6-[(12R)-22-methoxy-11,14-dioxo-12-propan-2-yl-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-16-carbonyl]pyridine-3-carboxylate
CID 157017564
N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 135105950
(12R)-16-(imidazo[1,2-b]pyridazine-3-carbonyl)-22-methoxy-12-propan-2-yl-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157016134
formic acid;(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 154917156

Frequently Asked Questions

What is the IUPAC name of (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The IUPAC name of (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (CID 137337062) is (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.
What is the SMILES notation for (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The canonical SMILES for (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is COc1ccc2cc1OCCN(C(=O)c1c[nH]c(=O)c(Cl)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The InChIKey is PEZXYMAMNBIFNO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H31ClN6O6/c1-16(2)23-26(37)30-7-9-33-8-6-29-24(33)17-4-5-20(39-3)21(13-17)40-11-10-34(15-22(35)32-23)27(38)18-12-19(28)25(36)31-14-18/h4-6,8,12-14,16,23H,7,9-11,15H2,1-3H3,(H,30,37)(H,31,36)(H,32,35)/t23-/m1/s1.
What are the key properties of (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione has a molecular weight of 571.03 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is sourced from PubChem (CID 137337062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).