MNYDXKFUZRRXCQ-UHFFFAOYSA-N

Name: MNYDXKFUZRRXCQ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₂₅FN₂O₃S — CID 67228708

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[4-[1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethenyl]phenyl]ethanone

SMILESCC(=O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

InChIInChI=1S/C28H25FN2O3S/c1-19(32)21-11-13-22(14-12-21)26(15-20-7-5-6-8-20)27-17-23-16-24(29)18-30-28(23)31(27)35(33,34)25-9-3-2-4-10-25/h2-4,9-18,20H,5-8H2,1H3

InChIKeyMNYDXKFUZRRXCQ-UHFFFAOYSA-N

MW488.58 g/mol

LogP6.24

Rot. Bonds6

About MNYDXKFUZRRXCQ-UHFFFAOYSA-N

MNYDXKFUZRRXCQ-UHFFFAOYSA-N (PubChem CID 67228708) has the molecular formula C₂₈H₂₅FN₂O₃S and a molecular weight of 488.58 g/mol. Its IUPAC name is 1-[4-[1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name	MNYDXKFUZRRXCQ-UHFFFAOYSA-N
PubChem CID	67228708
Molecular Formula	C₂₈H₂₅FN₂O₃S
Molecular Weight	488.58 g/mol
Exact Mass	488.16
IUPAC Name	1-[4-[1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethenyl]phenyl]ethanone
SMILES	CC(=O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1
InChI	InChI=1S/C28H25FN2O3S/c1-19(32)21-11-13-22(14-12-21)26(15-20-7-5-6-8-20)27-17-23-16-24(29)18-30-28(23)31(27)35(33,34)25-9-3-2-4-10-25/h2-4,9-18,20H,5-8H2,1H3
InChIKey	MNYDXKFUZRRXCQ-UHFFFAOYSA-N
XLogP	6.24
TPSA	69.03 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of MNYDXKFUZRRXCQ-UHFFFAOYSA-N?

The IUPAC name of MNYDXKFUZRRXCQ-UHFFFAOYSA-N (CID 67228708) is 1-[4-[1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethenyl]phenyl]ethanone.

What is the SMILES notation for MNYDXKFUZRRXCQ-UHFFFAOYSA-N?

The canonical SMILES for MNYDXKFUZRRXCQ-UHFFFAOYSA-N is CC(=O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1.

What is the InChIKey of MNYDXKFUZRRXCQ-UHFFFAOYSA-N?

The InChIKey is MNYDXKFUZRRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3S/c1-19(32)21-11-13-22(14-12-21)26(15-20-7-5-6-8-20)27-17-23-16-24(29)18-30-28(23)31(27)35(33,34)25-9-3-2-4-10-25/h2-4,9-18,20H,5-8H2,1H3.

What are the key properties of MNYDXKFUZRRXCQ-UHFFFAOYSA-N?

MNYDXKFUZRRXCQ-UHFFFAOYSA-N has a molecular weight of 488.58 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MNYDXKFUZRRXCQ-UHFFFAOYSA-N is sourced from PubChem (CID 67228708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 67228708 — identifiers, structure, computed properties (public domain)

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