UTHNWHQCMSDFJE-OKILXGFUSA-N

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

C₂₄H₂₇ClF₂N₆O₃ — CID 142606275

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

IUPAC2-[6-[[5-chloro-2-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

SMILESCNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)C(F)(F)[C@@H](C)C4)ncc3Cl)ccc2n(C)c1=O

InChIInChI=1S/C24H27ClF2N6O3/c1-13-10-33(11-14(2)24(13,26)27)23-29-9-17(25)21(31-23)30-16-5-6-18-15(7-16)8-19(22(35)32(18)4)36-12-20(34)28-3/h5-9,13-14H,10-12H2,1-4H3,(H,28,34)(H,29,30,31)/t13-,14+

InChIKeyUTHNWHQCMSDFJE-OKILXGFUSA-N

MW520.97 g/mol

LogP3.58

Rot. Bonds6

About UTHNWHQCMSDFJE-OKILXGFUSA-N

UTHNWHQCMSDFJE-OKILXGFUSA-N (PubChem CID 142606275) has the molecular formula C₂₄H₂₇ClF₂N₆O₃ and a molecular weight of 520.97 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name	UTHNWHQCMSDFJE-OKILXGFUSA-N
PubChem CID	142606275
Molecular Formula	C₂₄H₂₇ClF₂N₆O₃
Molecular Weight	520.97 g/mol
Exact Mass	520.18
IUPAC Name	2-[6-[[5-chloro-2-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
SMILES	CNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)C(F)(F)[C@@H](C)C4)ncc3Cl)ccc2n(C)c1=O
InChI	InChI=1S/C24H27ClF2N6O3/c1-13-10-33(11-14(2)24(13,26)27)23-29-9-17(25)21(31-23)30-16-5-6-18-15(7-16)8-19(22(35)32(18)4)36-12-20(34)28-3/h5-9,13-14H,10-12H2,1-4H3,(H,28,34)(H,29,30,31)/t13-,14+
InChIKey	UTHNWHQCMSDFJE-OKILXGFUSA-N
XLogP	3.58
TPSA	101.38 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.97
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of UTHNWHQCMSDFJE-OKILXGFUSA-N?

The IUPAC name of UTHNWHQCMSDFJE-OKILXGFUSA-N (CID 142606275) is 2-[6-[[5-chloro-2-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

What is the SMILES notation for UTHNWHQCMSDFJE-OKILXGFUSA-N?

The canonical SMILES for UTHNWHQCMSDFJE-OKILXGFUSA-N is CNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)C(F)(F)[C@@H](C)C4)ncc3Cl)ccc2n(C)c1=O.

What is the InChIKey of UTHNWHQCMSDFJE-OKILXGFUSA-N?

The InChIKey is UTHNWHQCMSDFJE-OKILXGFUSA-N. The full InChI is InChI=1S/C24H27ClF2N6O3/c1-13-10-33(11-14(2)24(13,26)27)23-29-9-17(25)21(31-23)30-16-5-6-18-15(7-16)8-19(22(35)32(18)4)36-12-20(34)28-3/h5-9,13-14H,10-12H2,1-4H3,(H,28,34)(H,29,30,31)/t13-,14+.

What are the key properties of UTHNWHQCMSDFJE-OKILXGFUSA-N?

UTHNWHQCMSDFJE-OKILXGFUSA-N has a molecular weight of 520.97 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for UTHNWHQCMSDFJE-OKILXGFUSA-N is sourced from PubChem (CID 142606275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142606275 — identifiers, structure, computed properties (public domain)

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