BAORANCHGLCRJK-LGHQJEIQSA-N

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

C₁₉H₂₁F₃N₆OS — CID 139365207

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

IUPACimino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane

SMILES[H]N=S(C)(=O)C[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1

InChIInChI=1S/C19H21F3N6OS/c1-30(23,29)12-13-3-2-8-27(10-13)17-6-7-24-18(26-17)15-9-25-16-5-4-14(11-28(15)16)19(20,21)22/h4-7,9,11,13,23H,2-3,8,10,12H2,1H3/t13-,30?/m0/s1

InChIKeyBAORANCHGLCRJK-LGHQJEIQSA-N

MW438.48 g/mol

LogP3.70

Rot. Bonds4

About BAORANCHGLCRJK-LGHQJEIQSA-N

BAORANCHGLCRJK-LGHQJEIQSA-N (PubChem CID 139365207) has the molecular formula C₁₉H₂₁F₃N₆OS and a molecular weight of 438.48 g/mol. Its IUPAC name is imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane.

Molecular Properties

Compound Name	BAORANCHGLCRJK-LGHQJEIQSA-N
PubChem CID	139365207
Molecular Formula	C₁₉H₂₁F₃N₆OS
Molecular Weight	438.48 g/mol
Exact Mass	438.14
IUPAC Name	imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane
SMILES	[H]N=S(C)(=O)C[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChI	InChI=1S/C19H21F3N6OS/c1-30(23,29)12-13-3-2-8-27(10-13)17-6-7-24-18(26-17)15-9-25-16-5-4-14(11-28(15)16)19(20,21)22/h4-7,9,11,13,23H,2-3,8,10,12H2,1H3/t13-,30?/m0/s1
InChIKey	BAORANCHGLCRJK-LGHQJEIQSA-N
XLogP	3.70
TPSA	87.24 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of BAORANCHGLCRJK-LGHQJEIQSA-N?

The IUPAC name of BAORANCHGLCRJK-LGHQJEIQSA-N (CID 139365207) is imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane.

What is the SMILES notation for BAORANCHGLCRJK-LGHQJEIQSA-N?

The canonical SMILES for BAORANCHGLCRJK-LGHQJEIQSA-N is [H]N=S(C)(=O)C[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.

What is the InChIKey of BAORANCHGLCRJK-LGHQJEIQSA-N?

The InChIKey is BAORANCHGLCRJK-LGHQJEIQSA-N. The full InChI is InChI=1S/C19H21F3N6OS/c1-30(23,29)12-13-3-2-8-27(10-13)17-6-7-24-18(26-17)15-9-25-16-5-4-14(11-28(15)16)19(20,21)22/h4-7,9,11,13,23H,2-3,8,10,12H2,1H3/t13-,30?/m0/s1.

What are the key properties of BAORANCHGLCRJK-LGHQJEIQSA-N?

BAORANCHGLCRJK-LGHQJEIQSA-N has a molecular weight of 438.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for BAORANCHGLCRJK-LGHQJEIQSA-N is sourced from PubChem (CID 139365207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139365207 — identifiers, structure, computed properties (public domain)

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