QCLDLTPVOUDGHP-UHFFFAOYSA-N

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

C₃₃H₃₀F₃N₅O₂ — CID 123878143

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

IUPAC2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide

SMILESCNC(=O)CCc1cc(C2=CCC(c3ccc(C(F)(F)F)cc3)C=C2)n(-c2ccc(NC(=O)c3ccnc(C)c3)cc2)n1

InChIInChI=1S/C33H30F3N5O2/c1-21-19-25(17-18-38-21)32(43)39-27-11-14-29(15-12-27)41-30(20-28(40-41)13-16-31(42)37-2)24-5-3-22(4-6-24)23-7-9-26(10-8-23)33(34,35)36/h3,5-12,14-15,17-20,22H,4,13,16H2,1-2H3,(H,37,42)(H,39,43)

InChIKeyQCLDLTPVOUDGHP-UHFFFAOYSA-N

MW585.63 g/mol

LogP6.65

Rot. Bonds8

About QCLDLTPVOUDGHP-UHFFFAOYSA-N

QCLDLTPVOUDGHP-UHFFFAOYSA-N (PubChem CID 123878143) has the molecular formula C₃₃H₃₀F₃N₅O₂ and a molecular weight of 585.63 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name	QCLDLTPVOUDGHP-UHFFFAOYSA-N
PubChem CID	123878143
Molecular Formula	C₃₃H₃₀F₃N₅O₂
Molecular Weight	585.63 g/mol
Exact Mass	585.24
IUPAC Name	2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILES	CNC(=O)CCc1cc(C2=CCC(c3ccc(C(F)(F)F)cc3)C=C2)n(-c2ccc(NC(=O)c3ccnc(C)c3)cc2)n1
InChI	InChI=1S/C33H30F3N5O2/c1-21-19-25(17-18-38-21)32(43)39-27-11-14-29(15-12-27)41-30(20-28(40-41)13-16-31(42)37-2)24-5-3-22(4-6-24)23-7-9-26(10-8-23)33(34,35)36/h3,5-12,14-15,17-20,22H,4,13,16H2,1-2H3,(H,37,42)(H,39,43)
InChIKey	QCLDLTPVOUDGHP-UHFFFAOYSA-N
XLogP	6.65
TPSA	88.91 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.63
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of QCLDLTPVOUDGHP-UHFFFAOYSA-N (CID 123878143) is 2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide.

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

The canonical SMILES for QCLDLTPVOUDGHP-UHFFFAOYSA-N is CNC(=O)CCc1cc(C2=CCC(c3ccc(C(F)(F)F)cc3)C=C2)n(-c2ccc(NC(=O)c3ccnc(C)c3)cc2)n1.

What is the InChIKey of QCLDLTPVOUDGHP-UHFFFAOYSA-N?

The InChIKey is QCLDLTPVOUDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N5O2/c1-21-19-25(17-18-38-21)32(43)39-27-11-14-29(15-12-27)41-30(20-28(40-41)13-16-31(42)37-2)24-5-3-22(4-6-24)23-7-9-26(10-8-23)33(34,35)36/h3,5-12,14-15,17-20,22H,4,13,16H2,1-2H3,(H,37,42)(H,39,43).

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

QCLDLTPVOUDGHP-UHFFFAOYSA-N has a molecular weight of 585.63 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for QCLDLTPVOUDGHP-UHFFFAOYSA-N is sourced from PubChem (CID 123878143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123878143 — identifiers, structure, computed properties (public domain)

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