MYGSLXVOOMXKFR-YSSOQSIOSA-N

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

C₂₂H₂₆F₃N₅O — CID 154971528

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

IUPAC5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1=C2CC(N3CCOCC3)C[C@H]21

InChIInChI=1S/C22H26F3N5O/c1-12(2)30-19(20-15-8-14(9-16(15)20)29-3-5-31-6-4-29)10-18(28-30)13-7-17(22(23,24)25)21(26)27-11-13/h7,10-12,14-15H,3-6,8-9H2,1-2H3,(H2,26,27)/t14?,15-/m1/s1

InChIKeyMYGSLXVOOMXKFR-YSSOQSIOSA-N

MW433.48 g/mol

LogP4.01

Rot. Bonds4

About MYGSLXVOOMXKFR-YSSOQSIOSA-N

MYGSLXVOOMXKFR-YSSOQSIOSA-N (PubChem CID 154971528) has the molecular formula C₂₂H₂₆F₃N₅O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name	MYGSLXVOOMXKFR-YSSOQSIOSA-N
PubChem CID	154971528
Molecular Formula	C₂₂H₂₆F₃N₅O
Molecular Weight	433.48 g/mol
Exact Mass	433.21
IUPAC Name	5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILES	CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1=C2CC(N3CCOCC3)C[C@H]21
InChI	InChI=1S/C22H26F3N5O/c1-12(2)30-19(20-15-8-14(9-16(15)20)29-3-5-31-6-4-29)10-18(28-30)13-7-17(22(23,24)25)21(26)27-11-13/h7,10-12,14-15H,3-6,8-9H2,1-2H3,(H2,26,27)/t14?,15-/m1/s1
InChIKey	MYGSLXVOOMXKFR-YSSOQSIOSA-N
XLogP	4.01
TPSA	69.20 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of MYGSLXVOOMXKFR-YSSOQSIOSA-N?

The IUPAC name of MYGSLXVOOMXKFR-YSSOQSIOSA-N (CID 154971528) is 5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for MYGSLXVOOMXKFR-YSSOQSIOSA-N?

The canonical SMILES for MYGSLXVOOMXKFR-YSSOQSIOSA-N is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1=C2CC(N3CCOCC3)C[C@H]21.

What is the InChIKey of MYGSLXVOOMXKFR-YSSOQSIOSA-N?

The InChIKey is MYGSLXVOOMXKFR-YSSOQSIOSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-12(2)30-19(20-15-8-14(9-16(15)20)29-3-5-31-6-4-29)10-18(28-30)13-7-17(22(23,24)25)21(26)27-11-13/h7,10-12,14-15H,3-6,8-9H2,1-2H3,(H2,26,27)/t14?,15-/m1/s1.

What are the key properties of MYGSLXVOOMXKFR-YSSOQSIOSA-N?

MYGSLXVOOMXKFR-YSSOQSIOSA-N has a molecular weight of 433.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for MYGSLXVOOMXKFR-YSSOQSIOSA-N is sourced from PubChem (CID 154971528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154971528 — identifiers, structure, computed properties (public domain)

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