1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea

C27H25FN8O4S — CID 69294470

IUPAC1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)n(-c2ccc3ncncc3c2)n1
InChIInChI=1S/C27H25FN8O4S/c1-16(2)24-13-26(36(34-24)18-4-6-22-17(10-18)14-29-15-31-22)33-27(37)32-23-7-5-19(11-21(23)28)40-20-8-9-30-25(12-20)35-41(3,38)39/h4-16H,1-3H3,(H,30,35)(H2,32,33,37)
InChIKeyXAZMTJXTCVYUNU-UHFFFAOYSA-N
MW576.61 g/mol
LogP5.28
Rot. Bonds8

About 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea

1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea (PubChem CID 69294470) has the molecular formula C27H25FN8O4S and a molecular weight of 576.61 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea
PubChem CID69294470
Molecular FormulaC27H25FN8O4S
Molecular Weight576.61 g/mol
Exact Mass576.17
IUPAC Name1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)n(-c2ccc3ncncc3c2)n1
InChIInChI=1S/C27H25FN8O4S/c1-16(2)24-13-26(36(34-24)18-4-6-22-17(10-18)14-29-15-31-22)33-27(37)32-23-7-5-19(11-21(23)28)40-20-8-9-30-25(12-20)35-41(3,38)39/h4-16H,1-3H3,(H,30,35)(H2,32,33,37)
InChIKeyXAZMTJXTCVYUNU-UHFFFAOYSA-N
XLogP5.28
TPSA153.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea 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 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea (CID 69294470) is 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea is CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)n(-c2ccc3ncncc3c2)n1.
What is the InChIKey of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea?
The InChIKey is XAZMTJXTCVYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN8O4S/c1-16(2)24-13-26(36(34-24)18-4-6-22-17(10-18)14-29-15-31-22)33-27(37)32-23-7-5-19(11-21(23)28)40-20-8-9-30-25(12-20)35-41(3,38)39/h4-16H,1-3H3,(H,30,35)(H2,32,33,37).
What are the key properties of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea?
1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea has a molecular weight of 576.61 g/mol, XLogP of 5.28, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-3-(3-propan-2-yl-1-quinazolin-6-ylpyrazol-5-yl)urea is sourced from PubChem (CID 69294470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).