(2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine

C19H19F2N3O2 — CID 171343257

IUPAC(2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine
SMILESFc1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1F
InChIInChI=1S/C19H19F2N3O2/c20-17-5-4-15(9-18(17)21)26-13-16-12-23(7-8-25-16)10-14-11-24-6-2-1-3-19(24)22-14/h1-6,9,11,16H,7-8,10,12-13H2/t16-/m0/s1
InChIKeyIYPLGFSKAOXCFI-INIZCTEOSA-N
MW359.38 g/mol
LogP2.89
Rot. Bonds5

About (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine

(2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine (PubChem CID 171343257) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine
PubChem CID171343257
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine
SMILESFc1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1F
InChIInChI=1S/C19H19F2N3O2/c20-17-5-4-15(9-18(17)21)26-13-16-12-23(7-8-25-16)10-14-11-24-6-2-1-3-19(24)22-14/h1-6,9,11,16H,7-8,10,12-13H2/t16-/m0/s1
InChIKeyIYPLGFSKAOXCFI-INIZCTEOSA-N
XLogP2.89
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine (CID 171343257) is (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine is Fc1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1F.
What is the InChIKey of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine?
The InChIKey is IYPLGFSKAOXCFI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-17-5-4-15(9-18(17)21)26-13-16-12-23(7-8-25-16)10-14-11-24-6-2-1-3-19(24)22-14/h1-6,9,11,16H,7-8,10,12-13H2/t16-/m0/s1.
What are the key properties of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine?
(2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine has a molecular weight of 359.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-difluorophenoxy)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine is sourced from PubChem (CID 171343257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).