(4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C22H26FN5O — CID 128998978

IUPAC(4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc(F)c3cccnc23)CC(=O)N1C
InChIInChI=1S/C22H26FN5O/c1-13-20(14(2)28(4)26-13)22-16(10-19(29)27(22)3)12-24-11-15-7-8-18(23)17-6-5-9-25-21(15)17/h5-9,16,22,24H,10-12H2,1-4H3/t16-,22+/m0/s1
InChIKeyKDZFHZJXFDZZAP-KSFYIVLOSA-N
MW395.48 g/mol
LogP3.03
Rot. Bonds5

About (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 128998978) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID128998978
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name(4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc(F)c3cccnc23)CC(=O)N1C
InChIInChI=1S/C22H26FN5O/c1-13-20(14(2)28(4)26-13)22-16(10-19(29)27(22)3)12-24-11-15-7-8-18(23)17-6-5-9-25-21(15)17/h5-9,16,22,24H,10-12H2,1-4H3/t16-,22+/m0/s1
InChIKeyKDZFHZJXFDZZAP-KSFYIVLOSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 128998978) is (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc(F)c3cccnc23)CC(=O)N1C.
What is the InChIKey of (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is KDZFHZJXFDZZAP-KSFYIVLOSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-13-20(14(2)28(4)26-13)22-16(10-19(29)27(22)3)12-24-11-15-7-8-18(23)17-6-5-9-25-21(15)17/h5-9,16,22,24H,10-12H2,1-4H3/t16-,22+/m0/s1.
What are the key properties of (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[(5-fluoroquinolin-8-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 128998978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).