(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one

C19H27N5O2 — CID 128967265

IUPAC(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOCCN1C(=O)C[C@@H](CNCc2ncccc2C)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H27N5O2/c1-14-5-4-6-21-17(14)12-20-10-15-9-18(25)24(7-8-26-3)19(15)16-11-22-23(2)13-16/h4-6,11,13,15,19-20H,7-10,12H2,1-3H3/t15-,19+/m0/s1
InChIKeyXDBCORXLYHUCBD-HNAYVOBHSA-N
MW357.46 g/mol
LogP1.45
Rot. Bonds8

About (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one

(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 128967265) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID128967265
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOCCN1C(=O)C[C@@H](CNCc2ncccc2C)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H27N5O2/c1-14-5-4-6-21-17(14)12-20-10-15-9-18(25)24(7-8-26-3)19(15)16-11-22-23(2)13-16/h4-6,11,13,15,19-20H,7-10,12H2,1-3H3/t15-,19+/m0/s1
InChIKeyXDBCORXLYHUCBD-HNAYVOBHSA-N
XLogP1.45
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]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

(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[(quinolin-6-ylmethylamino)methyl]pyrrolidin-2-one
CID 129005063
(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(5-methylsulfanylthiophen-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 100763551
(4R,5S)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]pyrrolidin-2-one
CID 138033696
2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 167756958
(4S,5R)-4-[[[(1S,6R,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129338636
(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129338635
6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide
CID 128990875
N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 167945757
(4S,5R)-4-[(1-benzofuran-2-ylmethylamino)methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 129005014
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea
CID 138015976
(4S,5R)-1-tert-butyl-4-[[(6-fluoroquinolin-8-yl)methylamino]methyl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 128992688
(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one
CID 129003809

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one (CID 128967265) is (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one is COCCN1C(=O)C[C@@H](CNCc2ncccc2C)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is XDBCORXLYHUCBD-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-5-4-6-21-17(14)12-20-10-15-9-18(25)24(7-8-26-3)19(15)16-11-22-23(2)13-16/h4-6,11,13,15,19-20H,7-10,12H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 357.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 128967265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).