[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol

C20H24N4O — CID 120581462

IUPAC[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc2ccccc2c(N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)c1C
InChIInChI=1S/C20H24N4O/c1-13-14(2)22-19-7-5-4-6-17(19)20(13)24-10-16(12-25)18(11-24)15-8-21-23(3)9-15/h4-9,16,18,25H,10-12H2,1-3H3/t16-,18-/m0/s1
InChIKeyHURGMYHWGQEVBH-WMZOPIPTSA-N
MW336.44 g/mol
LogP2.80
Rot. Bonds3

About [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol

[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 120581462) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
PubChem CID120581462
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc2ccccc2c(N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)c1C
InChIInChI=1S/C20H24N4O/c1-13-14(2)22-19-7-5-4-6-17(19)20(13)24-10-16(12-25)18(11-24)15-8-21-23(3)9-15/h4-9,16,18,25H,10-12H2,1-3H3/t16-,18-/m0/s1
InChIKeyHURGMYHWGQEVBH-WMZOPIPTSA-N
XLogP2.80
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol
CID 100663483
[(3S,4R)-1-[(1-methylbenzimidazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 100669633
2-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 120581458
[(3S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 100663734
[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 120581488
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[(E)-4-phenylbut-3-enyl]pyrrolidin-3-yl]methanol
CID 139019953
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
[(3S,4R)-1-[[4-(hydroxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581535
(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)-N-(2-phenylprop-2-enyl)pyrrolidine-1-carboxamide
CID 138019031
3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol
CID 75503244
1-benzofuran-2-yl-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 100667115

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol (CID 120581462) is [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol is Cc1nc2ccccc2c(N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)c1C.
What is the InChIKey of [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is HURGMYHWGQEVBH-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-14(2)22-19-7-5-4-6-17(19)20(13)24-10-16(12-25)18(11-24)15-8-21-23(3)9-15/h4-9,16,18,25H,10-12H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 336.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 120581462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).