2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

C46H42F4N8O5S2 — CID 160957646

IUPAC2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
SMILESNc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2.O=C(O)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2
InChIInChI=1S/C23H20F2N4O2S.C20H18F2N2O3.C3H4N2S/c24-21(25)18-13-15(29-7-9-31-10-8-29)4-5-16(18)19-12-14-2-1-3-17(20(14)27-19)22(30)28-23-26-6-11-32-23;21-19(22)16-11-13(24-6-8-27-9-7-24)4-5-14(16)17-10-12-2-1-3-15(20(25)26)18(12)23-17;4-3-5-1-2-6-3/h1-6,11,13,21H,7-10,12H2,(H,26,28,30);1-5,11,19H,6-10H2,(H,25,26);1-2H,(H2,4,5)
InChIKeySWPGVGZAVFHHAK-UHFFFAOYSA-N
MW927.02 g/mol
LogP9.41
Rot. Bonds9

About 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (PubChem CID 160957646) has the molecular formula C46H42F4N8O5S2 and a molecular weight of 927.02 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
PubChem CID160957646
Molecular FormulaC46H42F4N8O5S2
Molecular Weight927.02 g/mol
Exact Mass926.27
IUPAC Name2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
SMILESNc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2.O=C(O)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2
InChIInChI=1S/C23H20F2N4O2S.C20H18F2N2O3.C3H4N2S/c24-21(25)18-13-15(29-7-9-31-10-8-29)4-5-16(18)19-12-14-2-1-3-17(20(14)27-19)22(30)28-23-26-6-11-32-23;21-19(22)16-11-13(24-6-8-27-9-7-24)4-5-14(16)17-10-12-2-1-3-15(20(25)26)18(12)23-17;4-3-5-1-2-6-3/h1-6,11,13,21H,7-10,12H2,(H,26,28,30);1-5,11,19H,6-10H2,(H,25,26);1-2H,(H2,4,5)
InChIKeySWPGVGZAVFHHAK-UHFFFAOYSA-N
XLogP9.41
TPSA167.86 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.02
LogP ≤ 59.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine with MolForge

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Related Compounds

2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123344718
2-(4-methyl-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(4-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-3H-indole-7-carboxamide;5-methyl-1,3-thiazol-2-amine
CID 157707923
2-(2-methylphenyl)-5-morpholin-4-yl-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-5-morpholin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 158673114
2-(4-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;2-(4-fluoro-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3H-indole-7-carboxamide;methane;4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 159148859
ethyl 2-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-c]pyridine-7-carboxylate;2-(4-fluoro-2-methylphenyl)-N-(1,3-thiazol-2-yl)-3H-pyrrolo[3,2-c]pyridine-7-carboxamide;1,3-thiazol-2-amine
CID 159852309
2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3H-indole-7-carboxylic acid;2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160766079
2-(4-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;2-(4-fluoro-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3H-indole-7-carboxamide;4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 160777689
2-(2-methylphenyl)-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161369882
2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161430839
2-[2-(difluoromethyl)-4-fluorophenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161481808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The IUPAC name of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (CID 160957646) is 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.
What is the SMILES notation for 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The canonical SMILES for 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is Nc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2.O=C(O)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2.
What is the InChIKey of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The InChIKey is SWPGVGZAVFHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S.C20H18F2N2O3.C3H4N2S/c24-21(25)18-13-15(29-7-9-31-10-8-29)4-5-16(18)19-12-14-2-1-3-17(20(14)27-19)22(30)28-23-26-6-11-32-23;21-19(22)16-11-13(24-6-8-27-9-7-24)4-5-14(16)17-10-12-2-1-3-15(20(25)26)18(12)23-17;4-3-5-1-2-6-3/h1-6,11,13,21H,7-10,12H2,(H,26,28,30);1-5,11,19H,6-10H2,(H,25,26);1-2H,(H2,4,5).
What are the key properties of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine has a molecular weight of 927.02 g/mol, XLogP of 9.41, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is sourced from PubChem (CID 160957646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).