RAHNLJNHGBDPGS-BFUOFWGJSA-N

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

C₂₂H₂₂F₃N₇O — CID 139344621

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

IUPAC(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

SMILESCc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1

InChIInChI=1S/C22H22F3N7O/c1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25/h4-8,10-11,13,19H,9,12H2,1-3H3/t13-,19-/m1/s1

InChIKeyRAHNLJNHGBDPGS-BFUOFWGJSA-N

MW457.46 g/mol

LogP3.82

Rot. Bonds3

About RAHNLJNHGBDPGS-BFUOFWGJSA-N

RAHNLJNHGBDPGS-BFUOFWGJSA-N (PubChem CID 139344621) has the molecular formula C₂₂H₂₂F₃N₇O and a molecular weight of 457.46 g/mol. Its IUPAC name is (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name	RAHNLJNHGBDPGS-BFUOFWGJSA-N
PubChem CID	139344621
Molecular Formula	C₂₂H₂₂F₃N₇O
Molecular Weight	457.46 g/mol
Exact Mass	457.18
IUPAC Name	(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILES	Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1
InChI	InChI=1S/C22H22F3N7O/c1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25/h4-8,10-11,13,19H,9,12H2,1-3H3/t13-,19-/m1/s1
InChIKey	RAHNLJNHGBDPGS-BFUOFWGJSA-N
XLogP	3.82
TPSA	73.37 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.46
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of RAHNLJNHGBDPGS-BFUOFWGJSA-N?

The IUPAC name of RAHNLJNHGBDPGS-BFUOFWGJSA-N (CID 139344621) is (2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

What is the SMILES notation for RAHNLJNHGBDPGS-BFUOFWGJSA-N?

The canonical SMILES for RAHNLJNHGBDPGS-BFUOFWGJSA-N is Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.

What is the InChIKey of RAHNLJNHGBDPGS-BFUOFWGJSA-N?

The InChIKey is RAHNLJNHGBDPGS-BFUOFWGJSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25/h4-8,10-11,13,19H,9,12H2,1-3H3/t13-,19-/m1/s1.

What are the key properties of RAHNLJNHGBDPGS-BFUOFWGJSA-N?

RAHNLJNHGBDPGS-BFUOFWGJSA-N has a molecular weight of 457.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for RAHNLJNHGBDPGS-BFUOFWGJSA-N is sourced from PubChem (CID 139344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139344621 — identifiers, structure, computed properties (public domain)

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