N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide

C28H27F2N5O3 — CID 154598112

IUPACN-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
SMILESCn1cc(-n2ncc3cc(N4C(=O)C(C)(C)[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)ccc1=O
InChIInChI=1S/C28H27F2N5O3/c1-27(2)24(32-25(37)28(3,29)30)23(17-8-6-5-7-9-17)34(26(27)38)19-10-12-21-18(14-19)15-31-35(21)20-11-13-22(36)33(4)16-20/h5-16,23-24H,1-4H3,(H,32,37)/t23-,24-/m0/s1
InChIKeyWPWHZEVBQBVEOW-ZEQRLZLVSA-N
MW519.55 g/mol
LogP3.98
Rot. Bonds5

About N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide

N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide (PubChem CID 154598112) has the molecular formula C28H27F2N5O3 and a molecular weight of 519.55 g/mol. Its IUPAC name is N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
PubChem CID154598112
Molecular FormulaC28H27F2N5O3
Molecular Weight519.55 g/mol
Exact Mass519.21
IUPAC NameN-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
SMILESCn1cc(-n2ncc3cc(N4C(=O)C(C)(C)[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)ccc1=O
InChIInChI=1S/C28H27F2N5O3/c1-27(2)24(32-25(37)28(3,29)30)23(17-8-6-5-7-9-17)34(26(27)38)19-10-12-21-18(14-19)15-31-35(21)20-11-13-22(36)33(4)16-20/h5-16,23-24H,1-4H3,(H,32,37)/t23-,24-/m0/s1
InChIKeyWPWHZEVBQBVEOW-ZEQRLZLVSA-N
XLogP3.98
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide with MolForge

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Related Compounds

N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 154598308
2,2-difluoro-N-[(3R)-2-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-3-phenyl-1,2-thiazolidin-4-yl]propanamide
CID 170105517
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 138687282
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one
CID 170105429
2,2-difluoro-N-[2-(4-fluoro-3-methoxyphenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
CID 138687242
N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 154598120
1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 138687280
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
The IUPAC name of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide (CID 154598112) is N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide is Cn1cc(-n2ncc3cc(N4C(=O)C(C)(C)[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)ccc1=O.
What is the InChIKey of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
The InChIKey is WPWHZEVBQBVEOW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H27F2N5O3/c1-27(2)24(32-25(37)28(3,29)30)23(17-8-6-5-7-9-17)34(26(27)38)19-10-12-21-18(14-19)15-31-35(21)20-11-13-22(36)33(4)16-20/h5-16,23-24H,1-4H3,(H,32,37)/t23-,24-/m0/s1.
What are the key properties of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide has a molecular weight of 519.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide is sourced from PubChem (CID 154598112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).