4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid

C22H23F2NO3 — CID 121447038

IUPAC4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid
SMILESO=C(O)CCCC1(c2c(F)cc(-c3cccc(OC4CCC4)n3)cc2F)CC1
InChIInChI=1S/C22H23F2NO3/c23-16-12-14(18-6-2-7-19(25-18)28-15-4-1-5-15)13-17(24)21(16)22(10-11-22)9-3-8-20(26)27/h2,6-7,12-13,15H,1,3-5,8-11H2,(H,26,27)
InChIKeySULPHISSLTYDAE-UHFFFAOYSA-N
MW387.43 g/mol
LogP5.24
Rot. Bonds8

About 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid

4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid (PubChem CID 121447038) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid.

Molecular Properties

Compound Name4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid
PubChem CID121447038
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Name4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid
SMILESO=C(O)CCCC1(c2c(F)cc(-c3cccc(OC4CCC4)n3)cc2F)CC1
InChIInChI=1S/C22H23F2NO3/c23-16-12-14(18-6-2-7-19(25-18)28-15-4-1-5-15)13-17(24)21(16)22(10-11-22)9-3-8-20(26)27/h2,6-7,12-13,15H,1,3-5,8-11H2,(H,26,27)
InChIKeySULPHISSLTYDAE-UHFFFAOYSA-N
XLogP5.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
The IUPAC name of 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid (CID 121447038) is 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid.
What is the SMILES notation for 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
The canonical SMILES for 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid is O=C(O)CCCC1(c2c(F)cc(-c3cccc(OC4CCC4)n3)cc2F)CC1.
What is the InChIKey of 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
The InChIKey is SULPHISSLTYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO3/c23-16-12-14(18-6-2-7-19(25-18)28-15-4-1-5-15)13-17(24)21(16)22(10-11-22)9-3-8-20(26)27/h2,6-7,12-13,15H,1,3-5,8-11H2,(H,26,27).
What are the key properties of 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid has a molecular weight of 387.43 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid is sourced from PubChem (CID 121447038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).