RLQQZRFBODYCKR-PSRMXFSWSA-N

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

C₂₃H₂₈F₃N₅O₂ — CID 118161654

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

IUPAC5-[5-[(1S,5R)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12

InChIInChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16-,17+,21?/m1/s1

InChIKeyRLQQZRFBODYCKR-PJKBQJPOSA-N

MW463.50 g/mol

LogP3.97

Rot. Bonds5

About RLQQZRFBODYCKR-PSRMXFSWSA-N

RLQQZRFBODYCKR-PSRMXFSWSA-N (PubChem CID 118161654) has the molecular formula C₂₃H₂₈F₃N₅O₂ and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[5-[(1S,5R)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name	RLQQZRFBODYCKR-PSRMXFSWSA-N
PubChem CID	118161654
Molecular Formula	C₂₃H₂₈F₃N₅O₂
Molecular Weight	463.50 g/mol
Exact Mass	463.22
IUPAC Name	5-[5-[(1S,5R)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILES	CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12
InChI	InChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16-,17+,21?/m1/s1
InChIKey	RLQQZRFBODYCKR-PJKBQJPOSA-N
XLogP	3.97
TPSA	78.43 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of RLQQZRFBODYCKR-PSRMXFSWSA-N?

The IUPAC name of RLQQZRFBODYCKR-PSRMXFSWSA-N (CID 118161654) is 5-[5-[(1S,5R)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for RLQQZRFBODYCKR-PSRMXFSWSA-N?

The canonical SMILES for RLQQZRFBODYCKR-PSRMXFSWSA-N is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12.

What is the InChIKey of RLQQZRFBODYCKR-PSRMXFSWSA-N?

The InChIKey is RLQQZRFBODYCKR-PJKBQJPOSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16-,17+,21?/m1/s1.

What are the key properties of RLQQZRFBODYCKR-PSRMXFSWSA-N?

RLQQZRFBODYCKR-PSRMXFSWSA-N has a molecular weight of 463.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for RLQQZRFBODYCKR-PSRMXFSWSA-N is sourced from PubChem (CID 118161654), 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 118161654 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.