3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one

C28H33F4N3O3 — CID 147875453

IUPAC3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C28H33F4N3O3/c1-16-14-24(38-28(31)32)21(27(37)33-16)8-9-23(36)26-18(3)35(22-7-5-4-6-20(22)26)17(2)19-10-12-34(13-11-19)15-25(29)30/h4-7,14,17,19,25,28H,8-13,15H2,1-3H3,(H,33,37)/t17-/m1/s1
InChIKeyHZLCYVQANWEALD-QGZVFWFLSA-N
MW535.58 g/mol
LogP5.90
Rot. Bonds10

About 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one

3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one (PubChem CID 147875453) has the molecular formula C28H33F4N3O3 and a molecular weight of 535.58 g/mol. Its IUPAC name is 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
PubChem CID147875453
Molecular FormulaC28H33F4N3O3
Molecular Weight535.58 g/mol
Exact Mass535.25
IUPAC Name3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C28H33F4N3O3/c1-16-14-24(38-28(31)32)21(27(37)33-16)8-9-23(36)26-18(3)35(22-7-5-4-6-20(22)26)17(2)19-10-12-34(13-11-19)15-25(29)30/h4-7,14,17,19,25,28H,8-13,15H2,1-3H3,(H,33,37)/t17-/m1/s1
InChIKeyHZLCYVQANWEALD-QGZVFWFLSA-N
XLogP5.90
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

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(R)-1-(1-(1-(2,2-difluoropropyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
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N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
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N-[(4-ethylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589853
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589857
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
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N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 156010067

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one (CID 147875453) is 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one is Cc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)F)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
The InChIKey is HZLCYVQANWEALD-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H33F4N3O3/c1-16-14-24(38-28(31)32)21(27(37)33-16)8-9-23(36)26-18(3)35(22-7-5-4-6-20(22)26)17(2)19-10-12-34(13-11-19)15-25(29)30/h4-7,14,17,19,25,28H,8-13,15H2,1-3H3,(H,33,37)/t17-/m1/s1.
What are the key properties of 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one has a molecular weight of 535.58 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 147875453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).