(2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine

C18H18F2N4O2 — CID 138709986

IUPAC(2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine
SMILESFc1ccc(COCN2CCO[C@H](c3nc4ncccc4[nH]3)C2)c(F)c1
InChIInChI=1S/C18H18F2N4O2/c19-13-4-3-12(14(20)8-13)10-25-11-24-6-7-26-16(9-24)18-22-15-2-1-5-21-17(15)23-18/h1-5,8,16H,6-7,9-11H2,(H,21,22,23)/t16-/m0/s1
InChIKeyQJFMPFPKIFCQPR-INIZCTEOSA-N
MW360.36 g/mol
LogP2.78
Rot. Bonds5

About (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine

(2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine (PubChem CID 138709986) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine
PubChem CID138709986
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name(2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine
SMILESFc1ccc(COCN2CCO[C@H](c3nc4ncccc4[nH]3)C2)c(F)c1
InChIInChI=1S/C18H18F2N4O2/c19-13-4-3-12(14(20)8-13)10-25-11-24-6-7-26-16(9-24)18-22-15-2-1-5-21-17(15)23-18/h1-5,8,16H,6-7,9-11H2,(H,21,22,23)/t16-/m0/s1
InChIKeyQJFMPFPKIFCQPR-INIZCTEOSA-N
XLogP2.78
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine?
The IUPAC name of (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine (CID 138709986) is (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine is Fc1ccc(COCN2CCO[C@H](c3nc4ncccc4[nH]3)C2)c(F)c1.
What is the InChIKey of (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine?
The InChIKey is QJFMPFPKIFCQPR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c19-13-4-3-12(14(20)8-13)10-25-11-24-6-7-26-16(9-24)18-22-15-2-1-5-21-17(15)23-18/h1-5,8,16H,6-7,9-11H2,(H,21,22,23)/t16-/m0/s1.
What are the key properties of (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine?
(2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine has a molecular weight of 360.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,4-difluorophenyl)methoxymethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine is sourced from PubChem (CID 138709986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).