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

C20H23FN6O3 — CID 146572047

IUPAC(4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C20H23FN6O3/c1-22-9-15-14-10-26(19(28)13(14)7-18(23-15)25(2)3)16-5-4-6-17(24-16)27-12(8-21)11-30-20(27)29/h4-7,12,22H,8-11H2,1-3H3/t12-/m0/s1
InChIKeyRNTPFFATQYRNQL-LBPRGKRZSA-N
MW414.44 g/mol
LogP1.72
Rot. Bonds6

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

(4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146572047) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146572047
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name(4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C20H23FN6O3/c1-22-9-15-14-10-26(19(28)13(14)7-18(23-15)25(2)3)16-5-4-6-17(24-16)27-12(8-21)11-30-20(27)29/h4-7,12,22H,8-11H2,1-3H3/t12-/m0/s1
InChIKeyRNTPFFATQYRNQL-LBPRGKRZSA-N
XLogP1.72
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11142525, Example 49
CID 146593071
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
7-Fluoro-4-(4-morpholin-4-ylanilino)-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367106
7-Fluoro-4-(4-morpholin-4-ylanilino)-6-[(1-prop-2-enoylazepan-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367111
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
6-[Ethyl-(1-prop-2-enoylpiperidin-3-yl)amino]-7-fluoro-4-(4-morpholin-4-ylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367152

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146572047) is (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is CNCc1nc(N(C)C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O.
What is the InChIKey of (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is RNTPFFATQYRNQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-22-9-15-14-10-26(19(28)13(14)7-18(23-15)25(2)3)16-5-4-6-17(24-16)27-12(8-21)11-30-20(27)29/h4-7,12,22H,8-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
(4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 414.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[6-(dimethylamino)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 146572047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).