LZDVTDVJMOBFKP-UHFFFAOYSA-N

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

C₂₅H₂₀ClF₃N₆O₄ — CID 139371103

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

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-3-[3-(trifluoromethyl)oxetan-3-yl]oxypyrazole-5-carboxamide

SMILESCc1cc(C#N)cc(C(=O)NC2CC2)c1NC(=O)c1cc(OC2(C(F)(F)F)COC2)nn1-c1ncccc1Cl

InChIInChI=1S/C25H20ClF3N6O4/c1-13-7-14(10-30)8-16(22(36)32-15-4-5-15)20(13)33-23(37)18-9-19(39-24(11-38-12-24)25(27,28)29)34-35(18)21-17(26)3-2-6-31-21/h2-3,6-9,15H,4-5,11-12H2,1H3,(H,32,36)(H,33,37)

InChIKeyLZDVTDVJMOBFKP-UHFFFAOYSA-N

MW560.92 g/mol

LogP3.96

Rot. Bonds7

About LZDVTDVJMOBFKP-UHFFFAOYSA-N

LZDVTDVJMOBFKP-UHFFFAOYSA-N (PubChem CID 139371103) has the molecular formula C₂₅H₂₀ClF₃N₆O₄ and a molecular weight of 560.92 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-3-[3-(trifluoromethyl)oxetan-3-yl]oxypyrazole-5-carboxamide.

Molecular Properties

Compound Name	LZDVTDVJMOBFKP-UHFFFAOYSA-N
PubChem CID	139371103
Molecular Formula	C₂₅H₂₀ClF₃N₆O₄
Molecular Weight	560.92 g/mol
Exact Mass	560.12
IUPAC Name	1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-3-[3-(trifluoromethyl)oxetan-3-yl]oxypyrazole-5-carboxamide
SMILES	Cc1cc(C#N)cc(C(=O)NC2CC2)c1NC(=O)c1cc(OC2(C(F)(F)F)COC2)nn1-c1ncccc1Cl
InChI	InChI=1S/C25H20ClF3N6O4/c1-13-7-14(10-30)8-16(22(36)32-15-4-5-15)20(13)33-23(37)18-9-19(39-24(11-38-12-24)25(27,28)29)34-35(18)21-17(26)3-2-6-31-21/h2-3,6-9,15H,4-5,11-12H2,1H3,(H,32,36)(H,33,37)
InChIKey	LZDVTDVJMOBFKP-UHFFFAOYSA-N
XLogP	3.96
TPSA	131.16 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.92
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of LZDVTDVJMOBFKP-UHFFFAOYSA-N (CID 139371103) is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(cyclopropylcarbamoyl)-6-methylphenyl]-3-[3-(trifluoromethyl)oxetan-3-yl]oxypyrazole-5-carboxamide.

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

The canonical SMILES for LZDVTDVJMOBFKP-UHFFFAOYSA-N is Cc1cc(C#N)cc(C(=O)NC2CC2)c1NC(=O)c1cc(OC2(C(F)(F)F)COC2)nn1-c1ncccc1Cl.

What is the InChIKey of LZDVTDVJMOBFKP-UHFFFAOYSA-N?

The InChIKey is LZDVTDVJMOBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N6O4/c1-13-7-14(10-30)8-16(22(36)32-15-4-5-15)20(13)33-23(37)18-9-19(39-24(11-38-12-24)25(27,28)29)34-35(18)21-17(26)3-2-6-31-21/h2-3,6-9,15H,4-5,11-12H2,1H3,(H,32,36)(H,33,37).

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

LZDVTDVJMOBFKP-UHFFFAOYSA-N has a molecular weight of 560.92 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for LZDVTDVJMOBFKP-UHFFFAOYSA-N is sourced from PubChem (CID 139371103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139371103 — identifiers, structure, computed properties (public domain)

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