5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C26H26F2N4O2 — CID 127053923

IUPAC5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc3c(cnn3C)c2)cn1C(C)C
InChIInChI=1S/C26H26F2N4O2/c1-15(2)32-14-21(24(33)23(16(32)3)18-6-5-7-19(11-18)25(27)28)26(34)29-12-17-8-9-22-20(10-17)13-30-31(22)4/h5-11,13-15,25H,12H2,1-4H3,(H,29,34)
InChIKeyVOCKBYWTXINHIB-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.16
Rot. Bonds6

About 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 127053923) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID127053923
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc3c(cnn3C)c2)cn1C(C)C
InChIInChI=1S/C26H26F2N4O2/c1-15(2)32-14-21(24(33)23(16(32)3)18-6-5-7-19(11-18)25(27)28)26(34)29-12-17-8-9-22-20(10-17)13-30-31(22)4/h5-11,13-15,25H,12H2,1-4H3,(H,29,34)
InChIKeyVOCKBYWTXINHIB-UHFFFAOYSA-N
XLogP5.16
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 24769095
N-Ethyl-2-fluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 24937935
N-Ethyl-2,6-difluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 44517735
N-Ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45267605
N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45271025
N-Ethyl-2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 45273670
c-Niraparib
CID 124081212
8-[2-[(3S,4S)-3-fluoropiperidin-4-yl]-7-(trifluoromethyl)indazol-5-yl]-2,3-dihydro-1H-indolizin-5-one
CID 156017360
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 127053923) is 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc3c(cnn3C)c2)cn1C(C)C.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is VOCKBYWTXINHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-15(2)32-14-21(24(33)23(16(32)3)18-6-5-7-19(11-18)25(27)28)26(34)29-12-17-8-9-22-20(10-17)13-30-31(22)4/h5-11,13-15,25H,12H2,1-4H3,(H,29,34).
What are the key properties of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 127053923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).