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

C22H24FN5O3 — CID 146593038

IUPAC(4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C22H24FN5O3/c1-22(6-7-22)17-8-14-15(16(25-17)10-24-2)11-27(20(14)29)18-4-3-5-19(26-18)28-13(9-23)12-31-21(28)30/h3-5,8,13,24H,6-7,9-12H2,1-2H3/t13-/m0/s1
InChIKeyJPWRSWYNPFSRCI-ZDUSSCGKSA-N
MW425.46 g/mol
LogP2.70
Rot. Bonds6

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

(4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 146593038) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID146593038
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name(4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C22H24FN5O3/c1-22(6-7-22)17-8-14-15(16(25-17)10-24-2)11-27(20(14)29)18-4-3-5-19(26-18)28-13(9-23)12-31-21(28)30/h3-5,8,13,24H,6-7,9-12H2,1-2H3/t13-/m0/s1
InChIKeyJPWRSWYNPFSRCI-ZDUSSCGKSA-N
XLogP2.70
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 118
CID 146593063
US11142525, Example 68
CID 146593170
US11142525, Example 98
CID 146593220
US11142525, Example 174
CID 146611896
2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809939
2-[1-[6-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-3,5-dimethylpyrazin-2-yl]ethenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89793630
2-(2,6-Difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507173
US11142525, Example 87
CID 146593057
US11142525, Example 86
CID 146593104
US11142525, Example 37
CID 146593149

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 146593038) is (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is CNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O.
What is the InChIKey of (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is JPWRSWYNPFSRCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-22(6-7-22)17-8-14-15(16(25-17)10-24-2)11-27(20(14)29)18-4-3-5-19(26-18)28-13(9-23)12-31-21(28)30/h3-5,8,13,24H,6-7,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
(4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 425.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(fluoromethyl)-3-[6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146593038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).