(4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

C24H29FN6O3 — CID 146593063

IUPAC(4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCNCc1nc(N2[C@H](C)CC[C@H]2C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C24H29FN6O3/c1-14-7-8-15(2)30(14)22-9-17-18(19(27-22)11-26-3)12-29(23(17)32)20-5-4-6-21(28-20)31-16(10-25)13-34-24(31)33/h4-6,9,14-16,26H,7-8,10-13H2,1-3H3/t14-,15-,16+/m1/s1
InChIKeyDRMAKNVZDQGNSQ-OAGGEKHMSA-N
MW468.53 g/mol
LogP3.03
Rot. Bonds6

About (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146593063) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146593063
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name(4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCNCc1nc(N2[C@H](C)CC[C@H]2C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C24H29FN6O3/c1-14-7-8-15(2)30(14)22-9-17-18(19(27-22)11-26-3)12-29(23(17)32)20-5-4-6-21(28-20)31-16(10-25)13-34-24(31)33/h4-6,9,14-16,26H,7-8,10-13H2,1-3H3/t14-,15-,16+/m1/s1
InChIKeyDRMAKNVZDQGNSQ-OAGGEKHMSA-N
XLogP3.03
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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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Launch Full Analysis

Related Compounds

US11684616, Example 205
CID 157026916
US11142525, Example 49
CID 146593071
US11142525, Example 45
CID 146572047
US11142525, Example 91
CID 146593038
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
US11142525, Example 87
CID 146593057
US11142525, Example 86
CID 146593104
US11142525, Example 37
CID 146593149
US11142525, Example 124
CID 146593164

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146593063) is (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is CNCc1nc(N2[C@H](C)CC[C@H]2C)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O.
What is the InChIKey of (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is DRMAKNVZDQGNSQ-OAGGEKHMSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-14-7-8-15(2)30(14)22-9-17-18(19(27-22)11-26-3)12-29(23(17)32)20-5-4-6-21(28-20)31-16(10-25)13-34-24(31)33/h4-6,9,14-16,26H,7-8,10-13H2,1-3H3/t14-,15-,16+/m1/s1.
What are the key properties of (4R)-3-[6-[6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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 468.53 g/mol, XLogP of 3.03, 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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-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 146593063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).