propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate

C26H23F4N5O4S — CID 53341519

IUPACpropan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
SMILESCCn1cc(-c2ccnc(N)c2)c(-c2c(F)ccc(N(C(=O)OC(C)C)S(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C26H23F4N5O4S/c1-4-34-13-17(15-9-10-32-22(31)11-15)25(33-34)23-19(29)7-8-20(24(23)30)35(26(36)39-14(2)3)40(37,38)21-12-16(27)5-6-18(21)28/h5-14H,4H2,1-3H3,(H2,31,32)
InChIKeySDLFPTMFDMPZLV-UHFFFAOYSA-N
MW577.56 g/mol
LogP5.51
Rot. Bonds7

About propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate

propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate (PubChem CID 53341519) has the molecular formula C26H23F4N5O4S and a molecular weight of 577.56 g/mol. Its IUPAC name is propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
PubChem CID53341519
Molecular FormulaC26H23F4N5O4S
Molecular Weight577.56 g/mol
Exact Mass577.14
IUPAC Namepropan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
SMILESCCn1cc(-c2ccnc(N)c2)c(-c2c(F)ccc(N(C(=O)OC(C)C)S(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C26H23F4N5O4S/c1-4-34-13-17(15-9-10-32-22(31)11-15)25(33-34)23-19(29)7-8-20(24(23)30)35(26(36)39-14(2)3)40(37,38)21-12-16(27)5-6-18(21)28/h5-14H,4H2,1-3H3,(H2,31,32)
InChIKeySDLFPTMFDMPZLV-UHFFFAOYSA-N
XLogP5.51
TPSA120.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate 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-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate (CID 53341519) is propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate is CCn1cc(-c2ccnc(N)c2)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-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate?
The InChIKey is SDLFPTMFDMPZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O4S/c1-4-34-13-17(15-9-10-32-22(31)11-15)25(33-34)23-19(29)7-8-20(24(23)30)35(26(36)39-14(2)3)40(37,38)21-12-16(27)5-6-18(21)28/h5-14H,4H2,1-3H3,(H2,31,32).
What are the key properties of propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate?
propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate has a molecular weight of 577.56 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate is sourced from PubChem (CID 53341519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).