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

C29H34F5N3O3 — CID 148996865

IUPAC4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CCC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C29H34F5N3O3/c1-17-16-25(40-28(30)31)22(27(39)35-17)8-9-24(38)26-19(3)37(23-7-5-4-6-21(23)26)18(2)20-10-13-36(14-11-20)15-12-29(32,33)34/h4-7,16,18,20,28H,8-15H2,1-3H3,(H,35,39)/t18-/m1/s1
InChIKeyPYVYKOOQPWFONQ-GOSISDBHSA-N
MW567.60 g/mol
LogP6.59
Rot. Bonds10

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

4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 148996865) has the molecular formula C29H34F5N3O3 and a molecular weight of 567.60 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID148996865
Molecular FormulaC29H34F5N3O3
Molecular Weight567.60 g/mol
Exact Mass567.25
IUPAC Name4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CCC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C29H34F5N3O3/c1-17-16-25(40-28(30)31)22(27(39)35-17)8-9-24(38)26-19(3)37(23-7-5-4-6-21(23)26)18(2)20-10-13-36(14-11-20)15-12-29(32,33)34/h4-7,16,18,20,28H,8-15H2,1-3H3,(H,35,39)/t18-/m1/s1
InChIKeyPYVYKOOQPWFONQ-GOSISDBHSA-N
XLogP6.59
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.60
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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Olinone
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Cpi-169
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 73442743
(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
CID 117894970
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 117807842
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 122186510
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
CID 122491341
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
CID 142589865
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 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 148996865) is 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is Cc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CCC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is PYVYKOOQPWFONQ-GOSISDBHSA-N. The full InChI is InChI=1S/C29H34F5N3O3/c1-17-16-25(40-28(30)31)22(27(39)35-17)8-9-24(38)26-19(3)37(23-7-5-4-6-21(23)26)18(2)20-10-13-36(14-11-20)15-12-29(32,33)34/h4-7,16,18,20,28H,8-15H2,1-3H3,(H,35,39)/t18-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 567.60 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 148996865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).