4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide

C32H33F6N3O3 — CID 118227103

IUPAC4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccn(C(C)C)c2c1C
InChIInChI=1S/C32H33F6N3O3/c1-6-7-21-14-18(4)40-29(43)26(21)16-39-28(42)24-15-25(23-12-13-41(17(2)3)27(23)19(24)5)20-8-10-22(11-9-20)30(44,31(33,34)35)32(36,37)38/h8-15,17,44H,6-7,16H2,1-5H3,(H,39,42)(H,40,43)
InChIKeyBAQDGZTVJMWGHJ-UHFFFAOYSA-N
MW621.62 g/mol
LogP7.39
Rot. Bonds8

About 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide

4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide (PubChem CID 118227103) has the molecular formula C32H33F6N3O3 and a molecular weight of 621.62 g/mol. Its IUPAC name is 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide
PubChem CID118227103
Molecular FormulaC32H33F6N3O3
Molecular Weight621.62 g/mol
Exact Mass621.24
IUPAC Name4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccn(C(C)C)c2c1C
InChIInChI=1S/C32H33F6N3O3/c1-6-7-21-14-18(4)40-29(43)26(21)16-39-28(42)24-15-25(23-12-13-41(17(2)3)27(23)19(24)5)20-8-10-22(11-9-20)30(44,31(33,34)35)32(36,37)38/h8-15,17,44H,6-7,16H2,1-5H3,(H,39,42)(H,40,43)
InChIKeyBAQDGZTVJMWGHJ-UHFFFAOYSA-N
XLogP7.39
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.62
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide?
The IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide (CID 118227103) is 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide?
The canonical SMILES for 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccn(C(C)C)c2c1C.
What is the InChIKey of 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide?
The InChIKey is BAQDGZTVJMWGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F6N3O3/c1-6-7-21-14-18(4)40-29(43)26(21)16-39-28(42)24-15-25(23-12-13-41(17(2)3)27(23)19(24)5)20-8-10-22(11-9-20)30(44,31(33,34)35)32(36,37)38/h8-15,17,44H,6-7,16H2,1-5H3,(H,39,42)(H,40,43).
What are the key properties of 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide?
4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide has a molecular weight of 621.62 g/mol, XLogP of 7.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 118227103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).