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

C21H22FN5O3 — CID 146593222

IUPAC(4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCC1(c2cc3c(c(CN)n2)CN(c2cccc(N4C(=O)OC[C@@H]4CF)n2)C3=O)CC1
InChIInChI=1S/C21H22FN5O3/c1-21(5-6-21)16-7-13-14(15(9-23)24-16)10-26(19(13)28)17-3-2-4-18(25-17)27-12(8-22)11-30-20(27)29/h2-4,7,12H,5-6,8-11,23H2,1H3/t12-/m0/s1
InChIKeyFVQNEYYIBJLLRA-LBPRGKRZSA-N
MW411.44 g/mol
LogP2.44
Rot. Bonds5

About (4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146593222) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is (4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146593222
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name(4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCC1(c2cc3c(c(CN)n2)CN(c2cccc(N4C(=O)OC[C@@H]4CF)n2)C3=O)CC1
InChIInChI=1S/C21H22FN5O3/c1-21(5-6-21)16-7-13-14(15(9-23)24-16)10-26(19(13)28)17-3-2-4-18(25-17)27-12(8-22)11-30-20(27)29/h2-4,7,12H,5-6,8-11,23H2,1H3/t12-/m0/s1
InChIKeyFVQNEYYIBJLLRA-LBPRGKRZSA-N
XLogP2.44
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146593222) is (4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is CC1(c2cc3c(c(CN)n2)CN(c2cccc(N4C(=O)OC[C@@H]4CF)n2)C3=O)CC1.
What is the InChIKey of (4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is FVQNEYYIBJLLRA-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-21(5-6-21)16-7-13-14(15(9-23)24-16)10-26(19(13)28)17-3-2-4-18(25-17)27-12(8-22)11-30-20(27)29/h2-4,7,12H,5-6,8-11,23H2,1H3/t12-/m0/s1.
What are the key properties of (4R)-3-[6-[4-(aminomethyl)-6-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-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 2.44, 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-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 146593222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).