methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate

C14H15Cl2N3O3 — CID 99706485

IUPACmethyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CN1Cc1cn2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C14H15Cl2N3O3/c1-22-14(21)12-3-10(20)7-18(12)5-9-6-19-4-8(15)2-11(16)13(19)17-9/h2,4,6,10,12,20H,3,5,7H2,1H3/t10-,12-/m0/s1
InChIKeyJRCKLLKSRZTCPJ-JQWIXIFHSA-N
MW344.20 g/mol
LogP1.75
Rot. Bonds3

About methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 99706485) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID99706485
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Namemethyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CN1Cc1cn2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C14H15Cl2N3O3/c1-22-14(21)12-3-10(20)7-18(12)5-9-6-19-4-8(15)2-11(16)13(19)17-9/h2,4,6,10,12,20H,3,5,7H2,1H3/t10-,12-/m0/s1
InChIKeyJRCKLLKSRZTCPJ-JQWIXIFHSA-N
XLogP1.75
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate (CID 99706485) is methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](O)CN1Cc1cn2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is JRCKLLKSRZTCPJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-22-14(21)12-3-10(20)7-18(12)5-9-6-19-4-8(15)2-11(16)13(19)17-9/h2,4,6,10,12,20H,3,5,7H2,1H3/t10-,12-/m0/s1.
What are the key properties of methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 344.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 99706485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).