(4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

C20H22F2N6O3 — CID 146593149

IUPAC(4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C(F)F)n1)C2=O
InChIInChI=1S/C20H22F2N6O3/c1-23-8-13-12-9-27(19(29)11(12)7-17(24-13)26(2)3)15-5-4-6-16(25-15)28-14(18(21)22)10-31-20(28)30/h4-7,14,18,23H,8-10H2,1-3H3/t14-/m1/s1
InChIKeyKNAWUSWCAVMNCH-CQSZACIVSA-N
MW432.43 g/mol
LogP2.01
Rot. Bonds6

About (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

(4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 146593149) has the molecular formula C20H22F2N6O3 and a molecular weight of 432.43 g/mol. Its IUPAC name is (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID146593149
Molecular FormulaC20H22F2N6O3
Molecular Weight432.43 g/mol
Exact Mass432.17
IUPAC Name(4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C(F)F)n1)C2=O
InChIInChI=1S/C20H22F2N6O3/c1-23-8-13-12-9-27(19(29)11(12)7-17(24-13)26(2)3)15-5-4-6-16(25-15)28-14(18(21)22)10-31-20(28)30/h4-7,14,18,23H,8-10H2,1-3H3/t14-/m1/s1
InChIKeyKNAWUSWCAVMNCH-CQSZACIVSA-N
XLogP2.01
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

US11142525, Example 49
CID 146593071
US11142525, Example 45
CID 146572047
US11142525, Example 91
CID 146593038
US11142525, Example 118
CID 146593063
US11142525, Example 68
CID 146593170
US11142525, Example 98
CID 146593220
US11142525, Example 174
CID 146611896
N-[4-fluoro-1-[7-fluoro-4-(4-morpholin-4-ylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]prop-2-enamide
CID 147621284
2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809939
7-Fluoro-6-[(6-methyl-1-prop-2-enoylpiperidin-3-yl)amino]-4-(4-morpholin-4-ylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367113
7-Fluoro-4-(3-fluoro-4-morpholin-4-ylanilino)-6-[(6-methyl-1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367121
7-fluoro-4-[2-fluoro-4-[(3S)-3-methylmorpholin-4-yl]anilino]-6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367237

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 146593149) is (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is CNCc1nc(N(C)C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C(F)F)n1)C2=O.
What is the InChIKey of (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is KNAWUSWCAVMNCH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22F2N6O3/c1-23-8-13-12-9-27(19(29)11(12)7-17(24-13)26(2)3)15-5-4-6-16(25-15)28-14(18(21)22)10-31-20(28)30/h4-7,14,18,23H,8-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
(4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 432.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(difluoromethyl)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146593149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).