propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate

C26H22F4N4O4S — CID 53341264

IUPACpropan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC(C)C)S(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C26H22F4N4O4S/c1-4-33-14-18(16-9-11-31-12-10-16)25(32-33)23-20(29)7-8-21(24(23)30)34(26(35)38-15(2)3)39(36,37)22-13-17(27)5-6-19(22)28/h5-15H,4H2,1-3H3
InChIKeyQCECXPGXLXQYSN-UHFFFAOYSA-N
MW562.55 g/mol
LogP5.93
Rot. Bonds7

About propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate

propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate (PubChem CID 53341264) has the molecular formula C26H22F4N4O4S and a molecular weight of 562.55 g/mol. Its IUPAC name is propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate
PubChem CID53341264
Molecular FormulaC26H22F4N4O4S
Molecular Weight562.55 g/mol
Exact Mass562.13
IUPAC Namepropan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC(C)C)S(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C26H22F4N4O4S/c1-4-33-14-18(16-9-11-31-12-10-16)25(32-33)23-20(29)7-8-21(24(23)30)34(26(35)38-15(2)3)39(36,37)22-13-17(27)5-6-19(22)28/h5-15H,4H2,1-3H3
InChIKeyQCECXPGXLXQYSN-UHFFFAOYSA-N
XLogP5.93
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate 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 propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate?
The IUPAC name of propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate (CID 53341264) is propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate.
What is the SMILES notation for propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate?
The canonical SMILES for propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC(C)C)S(=O)(=O)c3cc(F)ccc3F)c2F)n1.
What is the InChIKey of propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate?
The InChIKey is QCECXPGXLXQYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4O4S/c1-4-33-14-18(16-9-11-31-12-10-16)25(32-33)23-20(29)7-8-21(24(23)30)34(26(35)38-15(2)3)39(36,37)22-13-17(27)5-6-19(22)28/h5-15H,4H2,1-3H3.
What are the key properties of propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate?
propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate has a molecular weight of 562.55 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]carbamate is sourced from PubChem (CID 53341264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).