(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one

C20H23N5O — CID 129003834

IUPAC(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](NCc3ccc4ncccc4c3)CC(=O)N2C)cnn1C
InChIInChI=1S/C20H23N5O/c1-13-16(12-23-25(13)3)20-18(10-19(26)24(20)2)22-11-14-6-7-17-15(9-14)5-4-8-21-17/h4-9,12,18,20,22H,10-11H2,1-3H3/t18-,20+/m1/s1
InChIKeyYXUIYXYVDLBGLJ-QUCCMNQESA-N
MW349.44 g/mol
LogP2.34
Rot. Bonds4

About (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one

(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one (PubChem CID 129003834) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one
PubChem CID129003834
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](NCc3ccc4ncccc4c3)CC(=O)N2C)cnn1C
InChIInChI=1S/C20H23N5O/c1-13-16(12-23-25(13)3)20-18(10-19(26)24(20)2)22-11-14-6-7-17-15(9-14)5-4-8-21-17/h4-9,12,18,20,22H,10-11H2,1-3H3/t18-,20+/m1/s1
InChIKeyYXUIYXYVDLBGLJ-QUCCMNQESA-N
XLogP2.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)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

5-[[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]amino]methyl]-2-fluorobenzonitrile
CID 128965295
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)pyrrolidin-2-one
CID 129000681
(4R,5S)-1-methyl-4-[(1-methylbenzimidazol-5-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128976826
2-fluoro-5-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987639
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(pyrimidin-2-ylamino)methyl]pyrrolidin-2-one
CID 154803434
2-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 43183350
1-propyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 60664069
(4R,5R)-5-(4-chlorophenyl)-1-methyl-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 97158629
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189
2-fluoro-4-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987673
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
CID 71927362

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one (CID 129003834) is (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one is Cc1c([C@H]2[C@H](NCc3ccc4ncccc4c3)CC(=O)N2C)cnn1C.
What is the InChIKey of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one?
The InChIKey is YXUIYXYVDLBGLJ-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-16(12-23-25(13)3)20-18(10-19(26)24(20)2)22-11-14-6-7-17-15(9-14)5-4-8-21-17/h4-9,12,18,20,22H,10-11H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one?
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(quinolin-6-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 129003834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).