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

C20H20FN5O3 — CID 146593104

IUPAC(4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESNCc1nc(C2CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C20H20FN5O3/c21-7-12-10-29-20(28)26(12)18-3-1-2-17(24-18)25-9-14-13(19(25)27)6-15(11-4-5-11)23-16(14)8-22/h1-3,6,11-12H,4-5,7-10,22H2/t12-/m0/s1
InChIKeyAQXCDYUGYMLXFM-LBPRGKRZSA-N
MW397.41 g/mol
LogP2.27
Rot. Bonds5

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

(4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146593104) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-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-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146593104
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name(4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESNCc1nc(C2CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O
InChIInChI=1S/C20H20FN5O3/c21-7-12-10-29-20(28)26(12)18-3-1-2-17(24-18)25-9-14-13(19(25)27)6-15(11-4-5-11)23-16(14)8-22/h1-3,6,11-12H,4-5,7-10,22H2/t12-/m0/s1
InChIKeyAQXCDYUGYMLXFM-LBPRGKRZSA-N
XLogP2.27
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-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
US11142525, Example 87
CID 146593057
US11142525, Example 37
CID 146593149
US11142525, Example 124
CID 146593164
US11142525, Example 85
CID 146593222

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-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-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146593104) is (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-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-[4-(aminomethyl)-6-cyclopropyl-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-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is NCc1nc(C2CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3CF)n1)C2=O.
What is the InChIKey of (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is AQXCDYUGYMLXFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-7-12-10-29-20(28)26(12)18-3-1-2-17(24-18)25-9-14-13(19(25)27)6-15(11-4-5-11)23-16(14)8-22/h1-3,6,11-12H,4-5,7-10,22H2/t12-/m0/s1.
What are the key properties of (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
(4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 397.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 146593104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).