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

C21H22FN5O3 — CID 146593057

IUPAC(4R)-3-[6-[6-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCNCc1nc(C2CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C21H22FN5O3/c1-23-9-17-15-10-26(20(28)14(15)7-16(24-17)12-5-6-12)18-3-2-4-19(25-18)27-13(8-22)11-30-21(27)29/h2-4,7,12-13,23H,5-6,8-11H2,1H3/t13-/m0/s1
InChIKeyMDWFZNBOAISJIF-ZDUSSCGKSA-N
MW411.44 g/mol
LogP2.53
Rot. Bonds6

About (4R)-3-[6-[6-cyclopropyl-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-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146593057) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is (4R)-3-[6-[6-cyclopropyl-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-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146593057
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name(4R)-3-[6-[6-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCNCc1nc(C2CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C21H22FN5O3/c1-23-9-17-15-10-26(20(28)14(15)7-16(24-17)12-5-6-12)18-3-2-4-19(25-18)27-13(8-22)11-30-21(27)29/h2-4,7,12-13,23H,5-6,8-11H2,1H3/t13-/m0/s1
InChIKeyMDWFZNBOAISJIF-ZDUSSCGKSA-N
XLogP2.53
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[6-[6-cyclopropyl-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 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
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-cyclopropyl-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-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146593057) is (4R)-3-[6-[6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is CNCc1nc(C2CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O.
What is the InChIKey of (4R)-3-[6-[6-cyclopropyl-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is MDWFZNBOAISJIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-23-9-17-15-10-26(20(28)14(15)7-16(24-17)12-5-6-12)18-3-2-4-19(25-18)27-13(8-22)11-30-21(27)29/h2-4,7,12-13,23H,5-6,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (4R)-3-[6-[6-cyclopropyl-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-cyclopropyl-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 411.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[6-cyclopropyl-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 146593057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).