7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C30H32FN5O4 — CID 75057570

IUPAC7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N3CC4CC3CN4C(=O)C(NC(=O)c3cc4cccc(F)c4[nH]3)C(C)(C)C)[nH]c12
InChIInChI=1S/C30H32FN5O4/c1-30(2,3)26(34-27(37)21-11-16-7-5-9-20(31)24(16)32-21)29(39)36-15-18-13-19(36)14-35(18)28(38)22-12-17-8-6-10-23(40-4)25(17)33-22/h5-12,18-19,26,32-33H,13-15H2,1-4H3,(H,34,37)
InChIKeyWAXQCFBOFMCQRA-UHFFFAOYSA-N
MW545.62 g/mol
LogP4.07
Rot. Bonds5

About 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 75057570) has the molecular formula C30H32FN5O4 and a molecular weight of 545.62 g/mol. Its IUPAC name is 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
PubChem CID75057570
Molecular FormulaC30H32FN5O4
Molecular Weight545.62 g/mol
Exact Mass545.24
IUPAC Name7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N3CC4CC3CN4C(=O)C(NC(=O)c3cc4cccc(F)c4[nH]3)C(C)(C)C)[nH]c12
InChIInChI=1S/C30H32FN5O4/c1-30(2,3)26(34-27(37)21-11-16-7-5-9-20(31)24(16)32-21)29(39)36-15-18-13-19(36)14-35(18)28(38)22-12-17-8-6-10-23(40-4)25(17)33-22/h5-12,18-19,26,32-33H,13-15H2,1-4H3,(H,34,37)
InChIKeyWAXQCFBOFMCQRA-UHFFFAOYSA-N
XLogP4.07
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.62
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide 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

N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
(1R,13S)-11-(7-methoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 44303727
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600565
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390
Bis(1H-2-indolyl)methanone 13
CID 5330529
methyl (1R,12S)-10-(5-methoxy-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 9953749
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-benzooxazol-6-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380537
methyl (1R,12S)-7-oxo-10-[5-(trifluoromethoxy)-1H-indole-2-carbonyl]-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 46888154
5-(2-fluoroethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide;oxalic acid
CID 76311261
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
CID 122178767
1H-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 455444
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4912133

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 75057570) is 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is COc1cccc2cc(C(=O)N3CC4CC3CN4C(=O)C(NC(=O)c3cc4cccc(F)c4[nH]3)C(C)(C)C)[nH]c12.
What is the InChIKey of 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is WAXQCFBOFMCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O4/c1-30(2,3)26(34-27(37)21-11-16-7-5-9-20(31)24(16)32-21)29(39)36-15-18-13-19(36)14-35(18)28(38)22-12-17-8-6-10-23(40-4)25(17)33-22/h5-12,18-19,26,32-33H,13-15H2,1-4H3,(H,34,37).
What are the key properties of 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 545.62 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-[5-(7-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 75057570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).