4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide

C25H17ClF3N7O3S — CID 162646299

IUPAC4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)n1
InChIInChI=1S/C25H17ClF3N7O3S/c1-36-7-6-18(34-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)33-23-16(26)3-5-19(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,33,37)(H2,30,31,32)
InChIKeyPQMPHCIYBWLGSO-UHFFFAOYSA-N
MW587.97 g/mol
LogP4.74
Rot. Bonds6

About 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide

4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide (PubChem CID 162646299) has the molecular formula C25H17ClF3N7O3S and a molecular weight of 587.97 g/mol. Its IUPAC name is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide
PubChem CID162646299
Molecular FormulaC25H17ClF3N7O3S
Molecular Weight587.97 g/mol
Exact Mass587.08
IUPAC Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)n1
InChIInChI=1S/C25H17ClF3N7O3S/c1-36-7-6-18(34-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)33-23-16(26)3-5-19(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,33,37)(H2,30,31,32)
InChIKeyPQMPHCIYBWLGSO-UHFFFAOYSA-N
XLogP4.74
TPSA144.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.97
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide 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 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide (CID 162646299) is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)n1.
What is the InChIKey of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide?
The InChIKey is PQMPHCIYBWLGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N7O3S/c1-36-7-6-18(34-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)33-23-16(26)3-5-19(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,33,37)(H2,30,31,32).
What are the key properties of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide?
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide has a molecular weight of 587.97 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1-methylpyrazol-3-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 162646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).