WSPSSCWJQMVPSM-UHFFFAOYSA-N

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

C₂₅H₂₁F₃N₄O — CID 50903066

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

IUPAC1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)C1CCC(C2)N1

InChIInChI=1S/C25H21F3N4O/c1-31-21-12-17(4-5-18(21)24-20-7-3-16(30-20)11-22(24)31)32-9-8-14(10-23(32)33)19-6-2-15(13-29-19)25(26,27)28/h2,4-6,8-10,12-13,16,20,30H,3,7,11H2,1H3

InChIKeyWSPSSCWJQMVPSM-UHFFFAOYSA-N

MW450.46 g/mol

LogP4.76

Rot. Bonds2

About WSPSSCWJQMVPSM-UHFFFAOYSA-N

WSPSSCWJQMVPSM-UHFFFAOYSA-N (PubChem CID 50903066) has the molecular formula C₂₅H₂₁F₃N₄O and a molecular weight of 450.46 g/mol. Its IUPAC name is 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name	WSPSSCWJQMVPSM-UHFFFAOYSA-N
PubChem CID	50903066
Molecular Formula	C₂₅H₂₁F₃N₄O
Molecular Weight	450.46 g/mol
Exact Mass	450.17
IUPAC Name	1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILES	Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)C1CCC(C2)N1
InChI	InChI=1S/C25H21F3N4O/c1-31-21-12-17(4-5-18(21)24-20-7-3-16(30-20)11-22(24)31)32-9-8-14(10-23(32)33)19-6-2-15(13-29-19)25(26,27)28/h2,4-6,8-10,12-13,16,20,30H,3,7,11H2,1H3
InChIKey	WSPSSCWJQMVPSM-UHFFFAOYSA-N
XLogP	4.76
TPSA	51.85 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.46
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of WSPSSCWJQMVPSM-UHFFFAOYSA-N?

The IUPAC name of WSPSSCWJQMVPSM-UHFFFAOYSA-N (CID 50903066) is 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

What is the SMILES notation for WSPSSCWJQMVPSM-UHFFFAOYSA-N?

The canonical SMILES for WSPSSCWJQMVPSM-UHFFFAOYSA-N is Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)C1CCC(C2)N1.

What is the InChIKey of WSPSSCWJQMVPSM-UHFFFAOYSA-N?

The InChIKey is WSPSSCWJQMVPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O/c1-31-21-12-17(4-5-18(21)24-20-7-3-16(30-20)11-22(24)31)32-9-8-14(10-23(32)33)19-6-2-15(13-29-19)25(26,27)28/h2,4-6,8-10,12-13,16,20,30H,3,7,11H2,1H3.

What are the key properties of WSPSSCWJQMVPSM-UHFFFAOYSA-N?

WSPSSCWJQMVPSM-UHFFFAOYSA-N has a molecular weight of 450.46 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WSPSSCWJQMVPSM-UHFFFAOYSA-N is sourced from PubChem (CID 50903066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 50903066 — identifiers, structure, computed properties (public domain)

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