methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C26H24F2N4O4 — CID 163481632

IUPACmethyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ccc(O)cn4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C26H24F2N4O4/c1-15-5-6-32-22(12-18-14-31(7-8-36-18)26(34)35-2)25(30-23(32)9-15)24-19(27)10-16(11-20(24)28)21-4-3-17(33)13-29-21/h3-6,9-11,13,18,33H,7-8,12,14H2,1-2H3
InChIKeyCFAZLMNWVPDPMK-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.37
Rot. Bonds4

About methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 163481632) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID163481632
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC Namemethyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ccc(O)cn4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C26H24F2N4O4/c1-15-5-6-32-22(12-18-14-31(7-8-36-18)26(34)35-2)25(30-23(32)9-15)24-19(27)10-16(11-20(24)28)21-4-3-17(33)13-29-21/h3-6,9-11,13,18,33H,7-8,12,14H2,1-2H3
InChIKeyCFAZLMNWVPDPMK-UHFFFAOYSA-N
XLogP4.37
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 163481632) is methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ccc(O)cn4)cc3F)nc3cc(C)ccn23)C1.
What is the InChIKey of methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is CFAZLMNWVPDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-15-5-6-32-22(12-18-14-31(7-8-36-18)26(34)35-2)25(30-23(32)9-15)24-19(27)10-16(11-20(24)28)21-4-3-17(33)13-29-21/h3-6,9-11,13,18,33H,7-8,12,14H2,1-2H3.
What are the key properties of methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 494.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 163481632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).