methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

C20H20N4O3 — CID 155501230

IUPACmethyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-20(26)17-9-23-19(10-22-17)24-11-14(18(25)12-24)8-13-6-7-21-16-5-3-2-4-15(13)16/h2-7,9-10,14,18,25H,8,11-12H2,1H3/t14-,18-/m1/s1
InChIKeyCGKNACYAMCPGKO-RDTXWAMCSA-N
MW364.41 g/mol
LogP1.85
Rot. Bonds4

About methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 155501230) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID155501230
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Namemethyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-20(26)17-9-23-19(10-22-17)24-11-14(18(25)12-24)8-13-6-7-21-16-5-3-2-4-15(13)16/h2-7,9-10,14,18,25H,8,11-12H2,1H3/t14-,18-/m1/s1
InChIKeyCGKNACYAMCPGKO-RDTXWAMCSA-N
XLogP1.85
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
cyclopentyl-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134708862
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 134714216
(3S,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 157013278
6-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 155502094
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
(3S,4R)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135103759
[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 135098041
3-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 155502589
[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 135095275
[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 155507941

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate (CID 155501230) is methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1.
What is the InChIKey of methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is CGKNACYAMCPGKO-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-20(26)17-9-23-19(10-22-17)24-11-14(18(25)12-24)8-13-6-7-21-16-5-3-2-4-15(13)16/h2-7,9-10,14,18,25H,8,11-12H2,1H3/t14-,18-/m1/s1.
What are the key properties of methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 155501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).