1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C26H26F2N4O3 — CID 122458430

IUPAC1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2ccnc(C(F)F)c2)c2ccccc12
InChIInChI=1S/C26H26F2N4O3/c1-14-11-22(35-4)19(25(33)31-14)13-30-26(34)23-16(3)32(21-8-6-5-7-18(21)23)15(2)17-9-10-29-20(12-17)24(27)28/h5-12,15,24H,13H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyZMSMRBWBYQGIMJ-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.83
Rot. Bonds7

About 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 122458430) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID122458430
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2ccnc(C(F)F)c2)c2ccccc12
InChIInChI=1S/C26H26F2N4O3/c1-14-11-22(35-4)19(25(33)31-14)13-30-26(34)23-16(3)32(21-8-6-5-7-18(21)23)15(2)17-9-10-29-20(12-17)24(27)28/h5-12,15,24H,13H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyZMSMRBWBYQGIMJ-UHFFFAOYSA-N
XLogP4.83
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 122458430) is 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2ccnc(C(F)F)c2)c2ccccc12.
What is the InChIKey of 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is ZMSMRBWBYQGIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-14-11-22(35-4)19(25(33)31-14)13-30-26(34)23-16(3)32(21-8-6-5-7-18(21)23)15(2)17-9-10-29-20(12-17)24(27)28/h5-12,15,24H,13H2,1-4H3,(H,30,34)(H,31,33).
What are the key properties of 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethyl)-4-pyridinyl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 122458430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).