7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine

C22H15ClF2N6O2 — CID 122196218

IUPAC7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
SMILESCn1cc(-c2cnc3nc(OCc4cc(F)c(Oc5ccc(Cl)nc5)c(F)c4)ccn23)cn1
InChIInChI=1S/C22H15ClF2N6O2/c1-30-11-14(8-28-30)18-10-27-22-29-20(4-5-31(18)22)32-12-13-6-16(24)21(17(25)7-13)33-15-2-3-19(23)26-9-15/h2-11H,12H2,1H3
InChIKeyPNCOAVZSEXYDTN-UHFFFAOYSA-N
MW468.85 g/mol
LogP4.83
Rot. Bonds6

About 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine

7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine (PubChem CID 122196218) has the molecular formula C22H15ClF2N6O2 and a molecular weight of 468.85 g/mol. Its IUPAC name is 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
PubChem CID122196218
Molecular FormulaC22H15ClF2N6O2
Molecular Weight468.85 g/mol
Exact Mass468.09
IUPAC Name7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
SMILESCn1cc(-c2cnc3nc(OCc4cc(F)c(Oc5ccc(Cl)nc5)c(F)c4)ccn23)cn1
InChIInChI=1S/C22H15ClF2N6O2/c1-30-11-14(8-28-30)18-10-27-22-29-20(4-5-31(18)22)32-12-13-6-16(24)21(17(25)7-13)33-15-2-3-19(23)26-9-15/h2-11H,12H2,1H3
InChIKeyPNCOAVZSEXYDTN-UHFFFAOYSA-N
XLogP4.83
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine (CID 122196218) is 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine is Cn1cc(-c2cnc3nc(OCc4cc(F)c(Oc5ccc(Cl)nc5)c(F)c4)ccn23)cn1.
What is the InChIKey of 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is PNCOAVZSEXYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N6O2/c1-30-11-14(8-28-30)18-10-27-22-29-20(4-5-31(18)22)32-12-13-6-16(24)21(17(25)7-13)33-15-2-3-19(23)26-9-15/h2-11H,12H2,1H3.
What are the key properties of 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 468.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).