(10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione

C35H39N5O6 — CID 131921102

IUPAC(10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
SMILESCCN1CC(=O)N[C@H]2CN(C(=O)c3cccn4cc(C)nc34)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O
InChIInChI=1S/C35H39N5O6/c1-5-38-20-32(41)37-30-19-40(35(43)29-10-7-12-39-18-23(4)36-33(29)39)13-11-31(30)44-21-24-8-6-9-26(14-24)46-28-16-25(34(38)42)15-27(17-28)45-22(2)3/h6-10,12,14-18,22,30-31H,5,11,13,19-21H2,1-4H3,(H,37,41)/t30-,31-/m0/s1
InChIKeyXXMLLLFLQDUXRP-CONSDPRKSA-N
MW625.73 g/mol
LogP4.61
Rot. Bonds4

About (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione

(10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione (PubChem CID 131921102) has the molecular formula C35H39N5O6 and a molecular weight of 625.73 g/mol. Its IUPAC name is (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione.

Molecular Properties

Compound Name(10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
PubChem CID131921102
Molecular FormulaC35H39N5O6
Molecular Weight625.73 g/mol
Exact Mass625.29
IUPAC Name(10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
SMILESCCN1CC(=O)N[C@H]2CN(C(=O)c3cccn4cc(C)nc34)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O
InChIInChI=1S/C35H39N5O6/c1-5-38-20-32(41)37-30-19-40(35(43)29-10-7-12-39-18-23(4)36-33(29)39)13-11-31(30)44-21-24-8-6-9-26(14-24)46-28-16-25(34(38)42)15-27(17-28)45-22(2)3/h6-10,12,14-18,22,30-31H,5,11,13,19-21H2,1-4H3,(H,37,41)/t30-,31-/m0/s1
InChIKeyXXMLLLFLQDUXRP-CONSDPRKSA-N
XLogP4.61
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.73
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione with MolForge

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Related Compounds

(10S,15S)-19-ethyl-13-(5-methyl-1,2-oxazole-3-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131895143
(10S,15S)-19-ethyl-13-(4-fluorobenzoyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131912937
(10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131903773
(10R,15S)-13-(1,5-dimethylpyrazole-3-carbonyl)-23-ethoxy-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131897921
(10R,15S)-23-ethoxy-13-(furan-2-carbonyl)-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131948466
(10S,15S)-13-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-19-ethyl-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-17,20-dione
CID 131928187
(10S,15S)-19-ethyl-13-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-17,20-dione
CID 131922156
(10S,15S)-19-ethyl-13-[4-(2-hydroxyethylsulfanyl)benzoyl]-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-17,20-dione
CID 131921837
(10S,15S)-19-methyl-23-(2-methylpropoxy)-12-(1H-pyrrole-2-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 165418275
(10S,15S)-12-(1H-indole-6-carbonyl)-19-methyl-23-(2-methylpropoxy)-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 165425090
(10R,15S)-23-ethoxy-19-methyl-13-[4-(1,2,4-triazol-1-yl)butanoyl]-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 131941552
(10S,15S)-19-methyl-23-(2-methylpropoxy)-12-[3-(pyrazol-1-ylmethyl)benzoyl]-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
CID 165418958

Frequently Asked Questions

What is the IUPAC name of (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?
The IUPAC name of (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione (CID 131921102) is (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione.
What is the SMILES notation for (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?
The canonical SMILES for (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione is CCN1CC(=O)N[C@H]2CN(C(=O)c3cccn4cc(C)nc34)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O.
What is the InChIKey of (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?
The InChIKey is XXMLLLFLQDUXRP-CONSDPRKSA-N. The full InChI is InChI=1S/C35H39N5O6/c1-5-38-20-32(41)37-30-19-40(35(43)29-10-7-12-39-18-23(4)36-33(29)39)13-11-31(30)44-21-24-8-6-9-26(14-24)46-28-16-25(34(38)42)15-27(17-28)45-22(2)3/h6-10,12,14-18,22,30-31H,5,11,13,19-21H2,1-4H3,(H,37,41)/t30-,31-/m0/s1.
What are the key properties of (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?
(10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione has a molecular weight of 625.73 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,15S)-19-ethyl-13-(2-methylimidazo[1,2-a]pyridine-8-carbonyl)-23-propan-2-yloxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione is sourced from PubChem (CID 131921102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).