(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one

C30H35N5O5 — CID 155507194

IUPAC(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCOc1ccc2cc1OCCN(C(=O)C[C@@H]1CCC(=O)N1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C30H35N5O5/c1-38-26-4-2-23-17-27(26)40-13-10-34(29(37)18-24-3-5-28(36)32-24)20-22-14-21(19-33-8-11-39-12-9-33)15-25(16-22)35-7-6-31-30(23)35/h2,4,6-7,14-17,24H,3,5,8-13,18-20H2,1H3,(H,32,36)/t24-/m0/s1
InChIKeyYURPFTOOSXGTTH-DEOSSOPVSA-N
MW545.64 g/mol
LogP2.77
Rot. Bonds5

About (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one

(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 155507194) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID155507194
Molecular FormulaC30H35N5O5
Molecular Weight545.64 g/mol
Exact Mass545.26
IUPAC Name(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCOc1ccc2cc1OCCN(C(=O)C[C@@H]1CCC(=O)N1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C30H35N5O5/c1-38-26-4-2-23-17-27(26)40-13-10-34(29(37)18-24-3-5-28(36)32-24)20-22-14-21(19-33-8-11-39-12-9-33)15-25(16-22)35-7-6-31-30(23)35/h2,4,6-7,14-17,24H,3,5,8-13,18-20H2,1H3,(H,32,36)/t24-/m0/s1
InChIKeyYURPFTOOSXGTTH-DEOSSOPVSA-N
XLogP2.77
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one
CID 155497911
formic acid;1-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155940143
1-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 155507845
methyl 2-[[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]sulfonyl]benzoate
CID 155492733
19-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-10-methoxy-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-14-one
CID 155498241
10-methoxy-14-oxo-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxylic acid
CID 154816380
(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
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
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
10-methoxy-19-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-14-one
CID 155494083
(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)-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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one (CID 155507194) is (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one is COc1ccc2cc1OCCN(C(=O)C[C@@H]1CCC(=O)N1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2.
What is the InChIKey of (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is YURPFTOOSXGTTH-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-38-26-4-2-23-17-27(26)40-13-10-34(29(37)18-24-3-5-28(36)32-24)20-22-14-21(19-33-8-11-39-12-9-33)15-25(16-22)35-7-6-31-30(23)35/h2,4,6-7,14-17,24H,3,5,8-13,18-20H2,1H3,(H,32,36)/t24-/m0/s1.
What are the key properties of (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one?
(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 545.64 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 155507194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).