methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate

C26H25N3O3 — CID 177207887

IUPACmethyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2nc(-c3ccc(C#Cc4ccc(OCC5CC5)nc4)cc3)cn2C1
InChIInChI=1S/C26H25N3O3/c1-31-26(30)22-11-12-24-28-23(16-29(24)15-22)21-9-6-18(7-10-21)2-3-19-8-13-25(27-14-19)32-17-20-4-5-20/h6-10,13-14,16,20,22H,4-5,11-12,15,17H2,1H3
InChIKeyVIDHBXHGSMUODD-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.87
Rot. Bonds5

About methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 177207887) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID177207887
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Namemethyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2nc(-c3ccc(C#Cc4ccc(OCC5CC5)nc4)cc3)cn2C1
InChIInChI=1S/C26H25N3O3/c1-31-26(30)22-11-12-24-28-23(16-29(24)15-22)21-9-6-18(7-10-21)2-3-19-8-13-25(27-14-19)32-17-20-4-5-20/h6-10,13-14,16,20,22H,4-5,11-12,15,17H2,1H3
InChIKeyVIDHBXHGSMUODD-UHFFFAOYSA-N
XLogP3.87
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate (CID 177207887) is methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)C1CCc2nc(-c3ccc(C#Cc4ccc(OCC5CC5)nc4)cc3)cn2C1.
What is the InChIKey of methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is VIDHBXHGSMUODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-31-26(30)22-11-12-24-28-23(16-29(24)15-22)21-9-6-18(7-10-21)2-3-19-8-13-25(27-14-19)32-17-20-4-5-20/h6-10,13-14,16,20,22H,4-5,11-12,15,17H2,1H3.
What are the key properties of methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 177207887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).