3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine

C18H15BrF2N2O — CID 121379313

IUPAC3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C3CC3)c(Br)c2c1
InChIInChI=1S/C18H15BrF2N2O/c1-10-7-15-17(19)18(11-5-6-11)22-23(15)16(8-10)24-9-12-13(20)3-2-4-14(12)21/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyUPMDKSPXNVFLQA-UHFFFAOYSA-N
MW393.23 g/mol
LogP5.14
Rot. Bonds4

About 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine

3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine (PubChem CID 121379313) has the molecular formula C18H15BrF2N2O and a molecular weight of 393.23 g/mol. Its IUPAC name is 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine
PubChem CID121379313
Molecular FormulaC18H15BrF2N2O
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C3CC3)c(Br)c2c1
InChIInChI=1S/C18H15BrF2N2O/c1-10-7-15-17(19)18(11-5-6-11)22-23(15)16(8-10)24-9-12-13(20)3-2-4-14(12)21/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyUPMDKSPXNVFLQA-UHFFFAOYSA-N
XLogP5.14
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.23
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine (CID 121379313) is 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine is Cc1cc(OCc2c(F)cccc2F)n2nc(C3CC3)c(Br)c2c1.
What is the InChIKey of 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine?
The InChIKey is UPMDKSPXNVFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N2O/c1-10-7-15-17(19)18(11-5-6-11)22-23(15)16(8-10)24-9-12-13(20)3-2-4-14(12)21/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine?
3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine has a molecular weight of 393.23 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 121379313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).