5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine

C28H27F2N3O3 — CID 118430561

IUPAC5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C28H27F2N3O3/c1-17(2)35-28-25(36-26-22(29)10-7-11-23(26)30)18(3)33(32-28)27-24(14-21(15-31-27)20-12-13-20)34-16-19-8-5-4-6-9-19/h4-11,14-15,17,20H,12-13,16H2,1-3H3
InChIKeyCARUAQYQENPEDY-UHFFFAOYSA-N
MW491.54 g/mol
LogP6.89
Rot. Bonds9

About 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine

5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine (PubChem CID 118430561) has the molecular formula C28H27F2N3O3 and a molecular weight of 491.54 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine
PubChem CID118430561
Molecular FormulaC28H27F2N3O3
Molecular Weight491.54 g/mol
Exact Mass491.20
IUPAC Name5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C28H27F2N3O3/c1-17(2)35-28-25(36-26-22(29)10-7-11-23(26)30)18(3)33(32-28)27-24(14-21(15-31-27)20-12-13-20)34-16-19-8-5-4-6-9-19/h4-11,14-15,17,20H,12-13,16H2,1-3H3
InChIKeyCARUAQYQENPEDY-UHFFFAOYSA-N
XLogP6.89
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine?
The IUPAC name of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine (CID 118430561) is 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine.
What is the SMILES notation for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine?
The canonical SMILES for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1OCc1ccccc1.
What is the InChIKey of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine?
The InChIKey is CARUAQYQENPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O3/c1-17(2)35-28-25(36-26-22(29)10-7-11-23(26)30)18(3)33(32-28)27-24(14-21(15-31-27)20-12-13-20)34-16-19-8-5-4-6-9-19/h4-11,14-15,17,20H,12-13,16H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine?
5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine has a molecular weight of 491.54 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-phenylmethoxypyridine is sourced from PubChem (CID 118430561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).