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

C19H15F2N5O — CID 46893385

IUPAC[8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3c(F)cccc23)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10-9-15(26-25-10)22-18-13-3-2-4-14(21)16(13)23-19(24-18)17(27)11-5-7-12(20)8-6-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)
InChIKeyAARJXMFKCRRTBI-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.76
Rot. Bonds4

About [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol

[8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 46893385) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
PubChem CID46893385
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3c(F)cccc23)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10-9-15(26-25-10)22-18-13-3-2-4-14(21)16(13)23-19(24-18)17(27)11-5-7-12(20)8-6-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)
InChIKeyAARJXMFKCRRTBI-UHFFFAOYSA-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

Analyze [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol with MolForge

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Related Compounds

(S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
Ac-430
CID 46892373
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
N-(4-(1-Hydroxypropyl)-phenyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]quinolin-4-amine
CID 44446745
4-[[4-[difluoro-(4-fluorophenyl)methyl]-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 72705467
US11168089, Ex. No. 14
CID 151510494
1-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxypropyl]urea
CID 118184016
US10947254, Example 5-14
CID 156601022
7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 145986550
1-Phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 16289156
US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 124221432
US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 124221433

Frequently Asked Questions

What is the IUPAC name of [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol (CID 46893385) is [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3c(F)cccc23)n[nH]1.
What is the InChIKey of [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is AARJXMFKCRRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-10-9-15(26-25-10)22-18-13-3-2-4-14(21)16(13)23-19(24-18)17(27)11-5-7-12(20)8-6-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26).
What are the key properties of [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol?
[8-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 [8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 46893385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).