7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane

C79H103B2Br5F6I2N6O6 — CID 158507592

IUPAC7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
SMILESC.C.C.C.C.C.C.C.C.CC1(C)OB(c2cc(F)cc3c(C4CC4)c[nH]c23)OC1(C)C.COCn1cc(C2CC2)c2cc(F)cc(Br)c21.COCn1cc(I)c2cc(F)cc(Br)c21.Fc1cc(Br)c2[nH]cc(C3CC3)c2c1.Fc1cc(Br)c2[nH]cc(I)c2c1.Fc1cc(Br)c2[nH]ccc2c1.OB(O)C1CC1
InChIInChI=1S/C17H21BFNO2.C13H13BrFNO.C11H9BrFN.C10H8BrFINO.C8H4BrFIN.C8H5BrFN.C3H7BO2.9CH4/c1-16(2)17(3,4)22-18(21-16)14-8-11(19)7-12-13(10-5-6-10)9-20-15(12)14;1-17-7-16-6-11(8-2-3-8)10-4-9(15)5-12(14)13(10)16;12-10-4-7(13)3-8-9(6-1-2-6)5-14-11(8)10;1-15-5-14-4-9(13)7-2-6(12)3-8(11)10(7)14;9-6-2-4(10)1-5-7(11)3-12-8(5)6;9-7-4-6(10)3-5-1-2-11-8(5)7;5-4(6)3-1-2-3;;;;;;;;;/h7-10,20H,5-6H2,1-4H3;4-6,8H,2-3,7H2,1H3;3-6,14H,1-2H2;2-4H,5H2,1H3;1-3,12H;1-4,11H;3,5-6H,1-2H2;9*1H4
InChIKeyHKQKYIYTEUGQAI-UHFFFAOYSA-N
MW2021.67 g/mol
LogP27.30
Rot. Bonds9

About 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane

7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane (PubChem CID 158507592) has the molecular formula C79H103B2Br5F6I2N6O6 and a molecular weight of 2021.67 g/mol. Its IUPAC name is 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane.

Molecular Properties

Compound Name7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
PubChem CID158507592
Molecular FormulaC79H103B2Br5F6I2N6O6
Molecular Weight2021.67 g/mol
Exact Mass2016.20
IUPAC Name7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
SMILESC.C.C.C.C.C.C.C.C.CC1(C)OB(c2cc(F)cc3c(C4CC4)c[nH]c23)OC1(C)C.COCn1cc(C2CC2)c2cc(F)cc(Br)c21.COCn1cc(I)c2cc(F)cc(Br)c21.Fc1cc(Br)c2[nH]cc(C3CC3)c2c1.Fc1cc(Br)c2[nH]cc(I)c2c1.Fc1cc(Br)c2[nH]ccc2c1.OB(O)C1CC1
InChIInChI=1S/C17H21BFNO2.C13H13BrFNO.C11H9BrFN.C10H8BrFINO.C8H4BrFIN.C8H5BrFN.C3H7BO2.9CH4/c1-16(2)17(3,4)22-18(21-16)14-8-11(19)7-12-13(10-5-6-10)9-20-15(12)14;1-17-7-16-6-11(8-2-3-8)10-4-9(15)5-12(14)13(10)16;12-10-4-7(13)3-8-9(6-1-2-6)5-14-11(8)10;1-15-5-14-4-9(13)7-2-6(12)3-8(11)10(7)14;9-6-2-4(10)1-5-7(11)3-12-8(5)6;9-7-4-6(10)3-5-1-2-11-8(5)7;5-4(6)3-1-2-3;;;;;;;;;/h7-10,20H,5-6H2,1-4H3;4-6,8H,2-3,7H2,1H3;3-6,14H,1-2H2;2-4H,5H2,1H3;1-3,12H;1-4,11H;3,5-6H,1-2H2;9*1H4
InChIKeyHKQKYIYTEUGQAI-UHFFFAOYSA-N
XLogP27.30
TPSA150.40 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002021.67
LogP ≤ 527.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane 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

(4-boronophenyl)boronic acid;tert-butyl (2S)-2-[(2-bromo-6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[6-fluoro-2-[4-[6-fluoro-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]phenyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 157323211
5-bromo-1H-indole;1-(bromomethyl)-4-methylbenzene;5-bromo-1-[(4-methylphenyl)methyl]indole;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159285491
5-bromo-1H-indole;1-(bromomethyl)-4-methylbenzene;5-bromo-1-[(4-methylphenyl)methyl]indole;methane;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159327635
N-(2-bromo-5-fluorophenyl)acetamide;tert-butyl (2S)-2-[(E)-3-(N-acetyl-2-bromo-5-fluoroanilino)prop-1-enyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(1-acetyl-6-fluoroindol-3-yl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 159399011
tert-butyl (2S,3S)-2-[(E)-3-(N-acetyl-2-bromo-5-fluoroanilino)prop-1-enyl]-3-methylpyrrolidine-1-carboxylate;tert-butyl (2R,3S)-2-[(1-acetyl-6-fluoroindol-3-yl)methyl]-3-methylpyrrolidine-1-carboxylate;tert-butyl (2R,3S)-2-[(6-fluoro-1H-indol-3-yl)methyl]-3-methylpyrrolidine-1-carboxylate;6-fluoro-3-[[(2R,3S)-3-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 159453724
7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 160203352
7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-lambda4-sulfanylidene)phosphaniumyl]azanide;methane
CID 160637345
CID 160908033
CID 160908033
7-bromo-5-fluoro-1H-indole;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161868475
7-bromo-5-fluoro-1H-indole;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162105549

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?
The IUPAC name of 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane (CID 158507592) is 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane.
What is the SMILES notation for 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?
The canonical SMILES for 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane is C.C.C.C.C.C.C.C.C.CC1(C)OB(c2cc(F)cc3c(C4CC4)c[nH]c23)OC1(C)C.COCn1cc(C2CC2)c2cc(F)cc(Br)c21.COCn1cc(I)c2cc(F)cc(Br)c21.Fc1cc(Br)c2[nH]cc(C3CC3)c2c1.Fc1cc(Br)c2[nH]cc(I)c2c1.Fc1cc(Br)c2[nH]ccc2c1.OB(O)C1CC1.
What is the InChIKey of 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?
The InChIKey is HKQKYIYTEUGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BFNO2.C13H13BrFNO.C11H9BrFN.C10H8BrFINO.C8H4BrFIN.C8H5BrFN.C3H7BO2.9CH4/c1-16(2)17(3,4)22-18(21-16)14-8-11(19)7-12-13(10-5-6-10)9-20-15(12)14;1-17-7-16-6-11(8-2-3-8)10-4-9(15)5-12(14)13(10)16;12-10-4-7(13)3-8-9(6-1-2-6)5-14-11(8)10;1-15-5-14-4-9(13)7-2-6(12)3-8(11)10(7)14;9-6-2-4(10)1-5-7(11)3-12-8(5)6;9-7-4-6(10)3-5-1-2-11-8(5)7;5-4(6)3-1-2-3;;;;;;;;;/h7-10,20H,5-6H2,1-4H3;4-6,8H,2-3,7H2,1H3;3-6,14H,1-2H2;2-4H,5H2,1H3;1-3,12H;1-4,11H;3,5-6H,1-2H2;9*1H4.
What are the key properties of 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?
7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane has a molecular weight of 2021.67 g/mol, XLogP of 27.30, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane is sourced from PubChem (CID 158507592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).