NAWKSXIZJTYHTN-UHFFFAOYSA-N

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

C₂₄H₂₄ClF₃N₆O₂ — CID 118023346

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

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide

SMILESCCN(C(=O)CCCC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl

InChIInChI=1S/C24H24ClF3N6O2/c1-2-33(19-15-34(31-22(19)25)18-6-4-10-29-12-18)21(35)7-3-5-17-14-32(23(17)36)13-16-8-9-20(30-11-16)24(26,27)28/h4,6,8-12,15,17H,2-3,5,7,13-14H2,1H3

InChIKeyNAWKSXIZJTYHTN-UHFFFAOYSA-N

MW520.94 g/mol

LogP4.52

Rot. Bonds9

About NAWKSXIZJTYHTN-UHFFFAOYSA-N

NAWKSXIZJTYHTN-UHFFFAOYSA-N (PubChem CID 118023346) has the molecular formula C₂₄H₂₄ClF₃N₆O₂ and a molecular weight of 520.94 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide.

Molecular Properties

Compound Name	NAWKSXIZJTYHTN-UHFFFAOYSA-N
PubChem CID	118023346
Molecular Formula	C₂₄H₂₄ClF₃N₆O₂
Molecular Weight	520.94 g/mol
Exact Mass	520.16
IUPAC Name	N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide
SMILES	CCN(C(=O)CCCC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl
InChI	InChI=1S/C24H24ClF3N6O2/c1-2-33(19-15-34(31-22(19)25)18-6-4-10-29-12-18)21(35)7-3-5-17-14-32(23(17)36)13-16-8-9-20(30-11-16)24(26,27)28/h4,6,8-12,15,17H,2-3,5,7,13-14H2,1H3
InChIKey	NAWKSXIZJTYHTN-UHFFFAOYSA-N
XLogP	4.52
TPSA	84.22 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.94
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of NAWKSXIZJTYHTN-UHFFFAOYSA-N (CID 118023346) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide.

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

The canonical SMILES for NAWKSXIZJTYHTN-UHFFFAOYSA-N is CCN(C(=O)CCCC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of NAWKSXIZJTYHTN-UHFFFAOYSA-N?

The InChIKey is NAWKSXIZJTYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6O2/c1-2-33(19-15-34(31-22(19)25)18-6-4-10-29-12-18)21(35)7-3-5-17-14-32(23(17)36)13-16-8-9-20(30-11-16)24(26,27)28/h4,6,8-12,15,17H,2-3,5,7,13-14H2,1H3.

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

NAWKSXIZJTYHTN-UHFFFAOYSA-N has a molecular weight of 520.94 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for NAWKSXIZJTYHTN-UHFFFAOYSA-N is sourced from PubChem (CID 118023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118023346 — identifiers, structure, computed properties (public domain)

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