N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide

C30H26FN5O4 — CID 155500485

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide
SMILESCOc1ccc2cc1OCC(=O)NCc1cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C30H26FN5O4/c1-35(16-23-12-20-11-22(31)4-5-25(20)34-23)30(38)21-9-18-10-24(13-21)36-8-7-32-29(36)19-3-6-26(39-2)27(14-19)40-17-28(37)33-15-18/h3-14,34H,15-17H2,1-2H3,(H,33,37)
InChIKeyVOXKADOZOVCLJW-UHFFFAOYSA-N
MW539.57 g/mol
LogP4.45
Rot. Bonds4

About N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide (PubChem CID 155500485) has the molecular formula C30H26FN5O4 and a molecular weight of 539.57 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide
PubChem CID155500485
Molecular FormulaC30H26FN5O4
Molecular Weight539.57 g/mol
Exact Mass539.20
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide
SMILESCOc1ccc2cc1OCC(=O)NCc1cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C30H26FN5O4/c1-35(16-23-12-20-11-22(31)4-5-25(20)34-23)30(38)21-9-18-10-24(13-21)36-8-7-32-29(36)19-3-6-26(39-2)27(14-19)40-17-28(37)33-15-18/h3-14,34H,15-17H2,1-2H3,(H,33,37)
InChIKeyVOXKADOZOVCLJW-UHFFFAOYSA-N
XLogP4.45
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide with MolForge

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Related Compounds

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-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-carboxamide
CID 155911891
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-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-carboxamide
CID 155496798
10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-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-carboxamide
CID 155912279
10-methoxy-14-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-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-carboxamide
CID 155504683
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-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
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
CID 156585037
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
(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
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide
CID 56895385
(3R,8S)-6-acetyl-23-fluoro-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-10,18-dione
CID 164693867
(3S,7S)-13,22-dimethoxy-5-[3-(2-methylimidazol-1-yl)propanoyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione
CID 164691000

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide (CID 155500485) is N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide is COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc(c1)-n1ccnc1-2.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide?
The InChIKey is VOXKADOZOVCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O4/c1-35(16-23-12-20-11-22(31)4-5-25(20)34-23)30(38)21-9-18-10-24(13-21)36-8-7-32-29(36)19-3-6-26(39-2)27(14-19)40-17-28(37)33-15-18/h3-14,34H,15-17H2,1-2H3,(H,33,37).
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-10-methoxy-N-methyl-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-carboxamide is sourced from PubChem (CID 155500485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).