methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate

C17H15ClFN5O2 — CID 87327030

IUPACmethyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cc(Cl)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C17H15ClFN5O2/c1-26-17(25)11-3-2-6-23(11)15-7-13(18)21-16(22-15)12-8-20-14-5-4-10(19)9-24(12)14/h4-5,7-9,11H,2-3,6H2,1H3
InChIKeyDXXIKZIKCRGMTM-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.73
Rot. Bonds3

About methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate

methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate (PubChem CID 87327030) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate
PubChem CID87327030
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC Namemethyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cc(Cl)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C17H15ClFN5O2/c1-26-17(25)11-3-2-6-23(11)15-7-13(18)21-16(22-15)12-8-20-14-5-4-10(19)9-24(12)14/h4-5,7-9,11H,2-3,6H2,1H3
InChIKeyDXXIKZIKCRGMTM-UHFFFAOYSA-N
XLogP2.73
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate (CID 87327030) is methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1cc(Cl)nc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate?
The InChIKey is DXXIKZIKCRGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-26-17(25)11-3-2-6-23(11)15-7-13(18)21-16(22-15)12-8-20-14-5-4-10(19)9-24(12)14/h4-5,7-9,11H,2-3,6H2,1H3.
What are the key properties of methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate?
methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate has a molecular weight of 375.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 87327030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).