2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide

C27H31FN4O3 — CID 44625269

IUPAC2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2cc(C(=O)NCC(C)(C)CO)ccc2[nH]1
InChIInChI=1S/C27H31FN4O3/c1-15-5-7-20(28)24-23(15)19(16(2)31-24)9-10-29-26(35)22-12-18-11-17(6-8-21(18)32-22)25(34)30-13-27(3,4)14-33/h5-8,11-12,31-33H,9-10,13-14H2,1-4H3,(H,29,35)(H,30,34)
InChIKeyLYFOUNLREHZUBZ-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.13
Rot. Bonds8

About 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide

2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide (PubChem CID 44625269) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
PubChem CID44625269
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2cc(C(=O)NCC(C)(C)CO)ccc2[nH]1
InChIInChI=1S/C27H31FN4O3/c1-15-5-7-20(28)24-23(15)19(16(2)31-24)9-10-29-26(35)22-12-18-11-17(6-8-21(18)32-22)25(34)30-13-27(3,4)14-33/h5-8,11-12,31-33H,9-10,13-14H2,1-4H3,(H,29,35)(H,30,34)
InChIKeyLYFOUNLREHZUBZ-UHFFFAOYSA-N
XLogP4.13
TPSA110.01 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide with MolForge

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Related Compounds

6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
CID 44625343
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 90723341
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 91163173
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide
CID 91159836
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
3-[(E)-3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 163689140
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide?
The IUPAC name of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide (CID 44625269) is 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide?
The canonical SMILES for 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2cc(C(=O)NCC(C)(C)CO)ccc2[nH]1.
What is the InChIKey of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide?
The InChIKey is LYFOUNLREHZUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-15-5-7-20(28)24-23(15)19(16(2)31-24)9-10-29-26(35)22-12-18-11-17(6-8-21(18)32-22)25(34)30-13-27(3,4)14-33/h5-8,11-12,31-33H,9-10,13-14H2,1-4H3,(H,29,35)(H,30,34).
What are the key properties of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide?
2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.13, 8 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 44625269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).