SOSLKDNGHFVFDS-HXUWFJFHSA-N

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

C₂₉H₃₂F₄N₆O₃ — CID 146361425

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

IUPACN-(2-aminoethyl)-5-(2-ethoxy-3-pyridinyl)-2-[(2R)-2-ethyl-4-[5-fluoro-3-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide

SMILESCCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ncc(F)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN)c1

InChIInChI=1S/C29H32F4N6O3/c1-3-20-17-38(28(41)25-23(29(31,32)33)15-19(30)16-37-25)12-13-39(20)24-8-7-18(14-22(24)26(40)35-11-9-34)21-6-5-10-36-27(21)42-4-2/h5-8,10,14-16,20H,3-4,9,11-13,17,34H2,1-2H3,(H,35,40)/t20-/m1/s1

InChIKeySOSLKDNGHFVFDS-HXUWFJFHSA-N

MW588.61 g/mol

LogP4.13

Rot. Bonds9

About SOSLKDNGHFVFDS-HXUWFJFHSA-N

SOSLKDNGHFVFDS-HXUWFJFHSA-N (PubChem CID 146361425) has the molecular formula C₂₉H₃₂F₄N₆O₃ and a molecular weight of 588.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(2-ethoxy-3-pyridinyl)-2-[(2R)-2-ethyl-4-[5-fluoro-3-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name	SOSLKDNGHFVFDS-HXUWFJFHSA-N
PubChem CID	146361425
Molecular Formula	C₂₉H₃₂F₄N₆O₃
Molecular Weight	588.61 g/mol
Exact Mass	588.25
IUPAC Name	N-(2-aminoethyl)-5-(2-ethoxy-3-pyridinyl)-2-[(2R)-2-ethyl-4-[5-fluoro-3-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide
SMILES	CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ncc(F)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN)c1
InChI	InChI=1S/C29H32F4N6O3/c1-3-20-17-38(28(41)25-23(29(31,32)33)15-19(30)16-37-25)12-13-39(20)24-8-7-18(14-22(24)26(40)35-11-9-34)21-6-5-10-36-27(21)42-4-2/h5-8,10,14-16,20H,3-4,9,11-13,17,34H2,1-2H3,(H,35,40)/t20-/m1/s1
InChIKey	SOSLKDNGHFVFDS-HXUWFJFHSA-N
XLogP	4.13
TPSA	113.68 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.61
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of SOSLKDNGHFVFDS-HXUWFJFHSA-N?

The IUPAC name of SOSLKDNGHFVFDS-HXUWFJFHSA-N (CID 146361425) is N-(2-aminoethyl)-5-(2-ethoxy-3-pyridinyl)-2-[(2R)-2-ethyl-4-[5-fluoro-3-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide.

What is the SMILES notation for SOSLKDNGHFVFDS-HXUWFJFHSA-N?

The canonical SMILES for SOSLKDNGHFVFDS-HXUWFJFHSA-N is CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ncc(F)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN)c1.

What is the InChIKey of SOSLKDNGHFVFDS-HXUWFJFHSA-N?

The InChIKey is SOSLKDNGHFVFDS-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H32F4N6O3/c1-3-20-17-38(28(41)25-23(29(31,32)33)15-19(30)16-37-25)12-13-39(20)24-8-7-18(14-22(24)26(40)35-11-9-34)21-6-5-10-36-27(21)42-4-2/h5-8,10,14-16,20H,3-4,9,11-13,17,34H2,1-2H3,(H,35,40)/t20-/m1/s1.

What are the key properties of SOSLKDNGHFVFDS-HXUWFJFHSA-N?

SOSLKDNGHFVFDS-HXUWFJFHSA-N has a molecular weight of 588.61 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SOSLKDNGHFVFDS-HXUWFJFHSA-N is sourced from PubChem (CID 146361425), 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 146361425 — identifiers, structure, computed properties (public domain)

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