RMOGWAHNOOJAPW-OCCSQVGLSA-N

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

C₂₃H₂₁ClF₆N₆O — CID 134276089

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

IUPAC[(3S,4S)-1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

SMILESC[C@@H]1CN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1

InChIInChI=1S/C23H21ClF6N6O/c1-12-10-34(19-15-3-2-13(22(25,26)27)8-17(15)31-9-16(19)24)5-4-14(12)20(37)35-6-7-36-18(11-35)32-33-21(36)23(28,29)30/h2-3,8-9,12,14H,4-7,10-11H2,1H3/t12-,14+/m1/s1

InChIKeyRMOGWAHNOOJAPW-OCCSQVGLSA-N

MW546.90 g/mol

LogP5.02

Rot. Bonds2

About RMOGWAHNOOJAPW-OCCSQVGLSA-N

RMOGWAHNOOJAPW-OCCSQVGLSA-N (PubChem CID 134276089) has the molecular formula C₂₃H₂₁ClF₆N₆O and a molecular weight of 546.90 g/mol. Its IUPAC name is [(3S,4S)-1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name	RMOGWAHNOOJAPW-OCCSQVGLSA-N
PubChem CID	134276089
Molecular Formula	C₂₃H₂₁ClF₆N₆O
Molecular Weight	546.90 g/mol
Exact Mass	546.14
IUPAC Name	[(3S,4S)-1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILES	C[C@@H]1CN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChI	InChI=1S/C23H21ClF6N6O/c1-12-10-34(19-15-3-2-13(22(25,26)27)8-17(15)31-9-16(19)24)5-4-14(12)20(37)35-6-7-36-18(11-35)32-33-21(36)23(28,29)30/h2-3,8-9,12,14H,4-7,10-11H2,1H3/t12-,14+/m1/s1
InChIKey	RMOGWAHNOOJAPW-OCCSQVGLSA-N
XLogP	5.02
TPSA	67.15 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	2
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.90
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of RMOGWAHNOOJAPW-OCCSQVGLSA-N?

The IUPAC name of RMOGWAHNOOJAPW-OCCSQVGLSA-N (CID 134276089) is [(3S,4S)-1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for RMOGWAHNOOJAPW-OCCSQVGLSA-N?

The canonical SMILES for RMOGWAHNOOJAPW-OCCSQVGLSA-N is C[C@@H]1CN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of RMOGWAHNOOJAPW-OCCSQVGLSA-N?

The InChIKey is RMOGWAHNOOJAPW-OCCSQVGLSA-N. The full InChI is InChI=1S/C23H21ClF6N6O/c1-12-10-34(19-15-3-2-13(22(25,26)27)8-17(15)31-9-16(19)24)5-4-14(12)20(37)35-6-7-36-18(11-35)32-33-21(36)23(28,29)30/h2-3,8-9,12,14H,4-7,10-11H2,1H3/t12-,14+/m1/s1.

What are the key properties of RMOGWAHNOOJAPW-OCCSQVGLSA-N?

RMOGWAHNOOJAPW-OCCSQVGLSA-N has a molecular weight of 546.90 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for RMOGWAHNOOJAPW-OCCSQVGLSA-N is sourced from PubChem (CID 134276089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134276089 — identifiers, structure, computed properties (public domain)

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