4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid

C23H25F2NO3 — CID 121447034

IUPAC4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid
SMILESO=C(O)CCCC1(c2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)CC1
InChIInChI=1S/C23H25F2NO3/c24-18-13-15(17-7-4-12-26-22(17)29-16-5-1-2-6-16)14-19(25)21(18)23(10-11-23)9-3-8-20(27)28/h4,7,12-14,16H,1-3,5-6,8-11H2,(H,27,28)
InChIKeyGYJKMJYHLLIYQF-UHFFFAOYSA-N
MW401.45 g/mol
LogP5.63
Rot. Bonds8

About 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid

4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid (PubChem CID 121447034) has the molecular formula C23H25F2NO3 and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid.

Molecular Properties

Compound Name4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid
PubChem CID121447034
Molecular FormulaC23H25F2NO3
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid
SMILESO=C(O)CCCC1(c2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)CC1
InChIInChI=1S/C23H25F2NO3/c24-18-13-15(17-7-4-12-26-22(17)29-16-5-1-2-6-16)14-19(25)21(18)23(10-11-23)9-3-8-20(27)28/h4,7,12-14,16H,1-3,5-6,8-11H2,(H,27,28)
InChIKeyGYJKMJYHLLIYQF-UHFFFAOYSA-N
XLogP5.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
The IUPAC name of 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid (CID 121447034) is 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid.
What is the SMILES notation for 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
The canonical SMILES for 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid is O=C(O)CCCC1(c2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)CC1.
What is the InChIKey of 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
The InChIKey is GYJKMJYHLLIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO3/c24-18-13-15(17-7-4-12-26-22(17)29-16-5-1-2-6-16)14-19(25)21(18)23(10-11-23)9-3-8-20(27)28/h4,7,12-14,16H,1-3,5-6,8-11H2,(H,27,28).
What are the key properties of 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid?
4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid has a molecular weight of 401.45 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]cyclopropyl]butanoic acid is sourced from PubChem (CID 121447034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).