(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol

C19H15F2N5O — CID 66613849

IUPAC(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(Nc2nc([C@@H](O)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10-8-16(26-25-10)23-18-14-9-13(21)6-7-15(14)22-19(24-18)17(27)11-2-4-12(20)5-3-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)/t17-/m0/s1
InChIKeyXZADWVKDQCOURZ-KRWDZBQOSA-N
MW367.36 g/mol
LogP3.76
Rot. Bonds4

About (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol

(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 66613849) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
PubChem CID66613849
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(Nc2nc([C@@H](O)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10-8-16(26-25-10)23-18-14-9-13(21)6-7-15(14)22-19(24-18)17(27)11-2-4-12(20)5-3-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)/t17-/m0/s1
InChIKeyXZADWVKDQCOURZ-KRWDZBQOSA-N
XLogP3.76
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol (CID 66613849) is (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol is Cc1cc(Nc2nc([C@@H](O)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1.
What is the InChIKey of (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is XZADWVKDQCOURZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-10-8-16(26-25-10)23-18-14-9-13(21)6-7-15(14)22-19(24-18)17(27)11-2-4-12(20)5-3-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)/t17-/m0/s1.
What are the key properties of (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 367.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 66613849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).