[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol

C20H18FN5O — CID 46893653

IUPAC[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESCCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H18FN5O/c1-2-14-11-17(26-25-14)23-19-15-5-3-4-6-16(15)22-20(24-19)18(27)12-7-9-13(21)10-8-12/h3-11,18,27H,2H2,1H3,(H2,22,23,24,25,26)
InChIKeyFMBOPMHLEACJOO-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.88
Rot. Bonds5

About [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol

[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 46893653) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
PubChem CID46893653
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESCCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H18FN5O/c1-2-14-11-17(26-25-14)23-19-15-5-3-4-6-16(15)22-20(24-19)18(27)12-7-9-13(21)10-8-12/h3-11,18,27H,2H2,1H3,(H2,22,23,24,25,26)
InChIKeyFMBOPMHLEACJOO-UHFFFAOYSA-N
XLogP3.88
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol (CID 46893653) is [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol is CCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is FMBOPMHLEACJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-2-14-11-17(26-25-14)23-19-15-5-3-4-6-16(15)22-20(24-19)18(27)12-7-9-13(21)10-8-12/h3-11,18,27H,2H2,1H3,(H2,22,23,24,25,26).
What are the key properties of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 363.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 46893653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).