N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C26H24FN7OS — CID 59325632

IUPACN-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCn1cc(-c2cc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)ccc2F)cn1
InChIInChI=1S/C26H24FN7OS/c1-34-15-17(14-31-34)20-11-18(2-3-22(20)27)32-26-30-13-16-10-21(25-29-8-9-36-25)24(12-23(16)33-26)35-19-4-6-28-7-5-19/h2-3,8-15,19,28H,4-7H2,1H3,(H,30,32,33)
InChIKeyHETQSBPIIWSYMT-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.17
Rot. Bonds6

About N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325632) has the molecular formula C26H24FN7OS and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325632
Molecular FormulaC26H24FN7OS
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC NameN-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCn1cc(-c2cc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)ccc2F)cn1
InChIInChI=1S/C26H24FN7OS/c1-34-15-17(14-31-34)20-11-18(2-3-22(20)27)32-26-30-13-16-10-21(25-29-8-9-36-25)24(12-23(16)33-26)35-19-4-6-28-7-5-19/h2-3,8-15,19,28H,4-7H2,1H3,(H,30,32,33)
InChIKeyHETQSBPIIWSYMT-UHFFFAOYSA-N
XLogP5.17
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine 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 N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325632) is N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is Cn1cc(-c2cc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)ccc2F)cn1.
What is the InChIKey of N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is HETQSBPIIWSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7OS/c1-34-15-17(14-31-34)20-11-18(2-3-22(20)27)32-26-30-13-16-10-21(25-29-8-9-36-25)24(12-23(16)33-26)35-19-4-6-28-7-5-19/h2-3,8-15,19,28H,4-7H2,1H3,(H,30,32,33).
What are the key properties of N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 501.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).