Skip to content

NZKAKWZSTIGNFK-OAQYLSRUSA-N

C26H20F4N4O3S — CID 126650543

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cn1
InChIInChI=1S/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/m1/s1
InChIKeyNZKAKWZSTIGNFK-OAQYLSRUSA-N
MW544.53 g/mol
LogP5.72
Rot. Bonds5

About NZKAKWZSTIGNFK-OAQYLSRUSA-N

NZKAKWZSTIGNFK-OAQYLSRUSA-N (PubChem CID 126650543) has the molecular formula C26H20F4N4O3S and a molecular weight of 544.53 g/mol. Its IUPAC name is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound NameNZKAKWZSTIGNFK-OAQYLSRUSA-N
PubChem CID126650543
Molecular FormulaC26H20F4N4O3S
Molecular Weight544.53 g/mol
Exact Mass544.12
IUPAC Name(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cn1
InChIInChI=1S/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/m1/s1
InChIKeyNZKAKWZSTIGNFK-OAQYLSRUSA-N
XLogP5.72
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze NZKAKWZSTIGNFK-OAQYLSRUSA-N with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of NZKAKWZSTIGNFK-OAQYLSRUSA-N?
The IUPAC name of NZKAKWZSTIGNFK-OAQYLSRUSA-N (CID 126650543) is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for NZKAKWZSTIGNFK-OAQYLSRUSA-N?
The canonical SMILES for NZKAKWZSTIGNFK-OAQYLSRUSA-N is Cc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cn1.
What is the InChIKey of NZKAKWZSTIGNFK-OAQYLSRUSA-N?
The InChIKey is NZKAKWZSTIGNFK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/m1/s1.
What are the key properties of NZKAKWZSTIGNFK-OAQYLSRUSA-N?
NZKAKWZSTIGNFK-OAQYLSRUSA-N has a molecular weight of 544.53 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for NZKAKWZSTIGNFK-OAQYLSRUSA-N is sourced from PubChem (CID 126650543), 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

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.