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

C23H29FN6O3 — CID 146593220

IUPAC(4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCCN(c1cc2c(c(CNC)n1)CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O)C(C)C
InChIInChI=1S/C23H29FN6O3/c1-5-28(14(2)3)21-9-16-17(18(26-21)11-25-4)12-29(22(16)31)19-7-6-8-20(27-19)30-15(10-24)13-33-23(30)32/h6-9,14-15,25H,5,10-13H2,1-4H3/t15-/m0/s1
InChIKeyNGGPGXTVFWVMNJ-HNNXBMFYSA-N
MW456.52 g/mol
LogP2.89
Rot. Bonds8

About (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-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-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146593220) has the molecular formula C23H29FN6O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-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-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146593220
Molecular FormulaC23H29FN6O3
Molecular Weight456.52 g/mol
Exact Mass456.23
IUPAC Name(4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCCN(c1cc2c(c(CNC)n1)CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O)C(C)C
InChIInChI=1S/C23H29FN6O3/c1-5-28(14(2)3)21-9-16-17(18(26-21)11-25-4)12-29(22(16)31)19-7-6-8-20(27-19)30-15(10-24)13-33-23(30)32/h6-9,14-15,25H,5,10-13H2,1-4H3/t15-/m0/s1
InChIKeyNGGPGXTVFWVMNJ-HNNXBMFYSA-N
XLogP2.89
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-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 45
CID 146572047
US11142525, Example 91
CID 146593038
US11142525, Example 118
CID 146593063
US11142525, Example 68
CID 146593170
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-[ethyl(propan-2-yl)amino]-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-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146593220) is (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-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-[ethyl(propan-2-yl)amino]-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-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is CCN(c1cc2c(c(CNC)n1)CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O)C(C)C.
What is the InChIKey of (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is NGGPGXTVFWVMNJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H29FN6O3/c1-5-28(14(2)3)21-9-16-17(18(26-21)11-25-4)12-29(22(16)31)19-7-6-8-20(27-19)30-15(10-24)13-33-23(30)32/h6-9,14-15,25H,5,10-13H2,1-4H3/t15-/m0/s1.
What are the key properties of (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-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-[ethyl(propan-2-yl)amino]-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 456.52 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[6-[ethyl(propan-2-yl)amino]-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 146593220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).