tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate

C24H27F2N3O3 — CID 166769568

IUPACtert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)nc2c1
InChIInChI=1S/C24H27F2N3O3/c1-14-5-7-29-19(12-16-13-27-6-8-31-16)22(28-20(29)9-14)21-17(25)10-15(11-18(21)26)23(30)32-24(2,3)4/h5,7,9-11,16,27H,6,8,12-13H2,1-4H3/t16-/m0/s1
InChIKeyUFCGJZYRBRETTE-INIZCTEOSA-N
MW443.49 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate

tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 166769568) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Nametert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID166769568
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Nametert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)nc2c1
InChIInChI=1S/C24H27F2N3O3/c1-14-5-7-29-19(12-16-13-27-6-8-31-16)22(28-20(29)9-14)21-17(25)10-15(11-18(21)26)23(30)32-24(2,3)4/h5,7,9-11,16,27H,6,8,12-13H2,1-4H3/t16-/m0/s1
InChIKeyUFCGJZYRBRETTE-INIZCTEOSA-N
XLogP4.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate (CID 166769568) is tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate is Cc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)nc2c1.
What is the InChIKey of tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is UFCGJZYRBRETTE-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-14-5-7-29-19(12-16-13-27-6-8-31-16)22(28-20(29)9-14)21-17(25)10-15(11-18(21)26)23(30)32-24(2,3)4/h5,7,9-11,16,27H,6,8,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate has a molecular weight of 443.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 166769568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).