(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one

C20H20F2N2O3 — CID 170370379

IUPAC(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(C2CC2)nc(N2C[C@@H](c3c(F)cc(OC)cc3F)CC2=O)c1
InChIInChI=1S/C20H20F2N2O3/c1-26-13-6-15(21)20(16(22)7-13)12-5-19(25)24(10-12)18-9-14(27-2)8-17(23-18)11-3-4-11/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m0/s1
InChIKeyYIXNRASAVJBRAK-LBPRGKRZSA-N
MW374.39 g/mol
LogP3.77
Rot. Bonds5

About (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one

(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 170370379) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID170370379
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(C2CC2)nc(N2C[C@@H](c3c(F)cc(OC)cc3F)CC2=O)c1
InChIInChI=1S/C20H20F2N2O3/c1-26-13-6-15(21)20(16(22)7-13)12-5-19(25)24(10-12)18-9-14(27-2)8-17(23-18)11-3-4-11/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m0/s1
InChIKeyYIXNRASAVJBRAK-LBPRGKRZSA-N
XLogP3.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-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

Related Compounds

(4R,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-5-methylpyrrolidin-2-one
CID 170370901
(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 170367085
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(1-oxothian-4-yl)pyridin-2-one
CID 162437746
3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 170369474
5-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyrimidin-4-one
CID 162437304
6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
CID 142493849
3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
CID 170366841
4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one
CID 162437814
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one (CID 170370379) is (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one is COc1cc(C2CC2)nc(N2C[C@@H](c3c(F)cc(OC)cc3F)CC2=O)c1.
What is the InChIKey of (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is YIXNRASAVJBRAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-26-13-6-15(21)20(16(22)7-13)12-5-19(25)24(10-12)18-9-14(27-2)8-17(23-18)11-3-4-11/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 374.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 170370379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).