[7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol

C18H13BrFN5O — CID 46893257

IUPAC[7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccc(Br)cc2n1
InChIInChI=1S/C18H13BrFN5O/c19-11-3-6-13-14(9-11)22-18(16(26)10-1-4-12(20)5-2-10)24-17(13)23-15-7-8-21-25-15/h1-9,16,26H,(H2,21,22,23,24,25)
InChIKeyXMAPDTJKACDCQW-UHFFFAOYSA-N
MW414.24 g/mol
LogP4.08
Rot. Bonds4

About [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol

[7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 46893257) has the molecular formula C18H13BrFN5O and a molecular weight of 414.24 g/mol. Its IUPAC name is [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol
PubChem CID46893257
Molecular FormulaC18H13BrFN5O
Molecular Weight414.24 g/mol
Exact Mass413.03
IUPAC Name[7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccc(Br)cc2n1
InChIInChI=1S/C18H13BrFN5O/c19-11-3-6-13-14(9-11)22-18(16(26)10-1-4-12(20)5-2-10)24-17(13)23-15-7-8-21-25-15/h1-9,16,26H,(H2,21,22,23,24,25)
InChIKeyXMAPDTJKACDCQW-UHFFFAOYSA-N
XLogP4.08
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
6-(6-Bromo-4-fluoro-1H-indazol-1-yl)-2-pyridinemethanol
CID 118663841
(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
CID 46892368
3-[[2-[(4-fluorophenyl)-hydroxymethyl]quinazolin-4-yl]amino]-1H-pyrazole-5-carbonitrile
CID 46892492
[5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 46892493
(4-fluorophenyl)(4-(5-methyl-1H-pyrazol-3-ylamino)-7-(trifluoromethyl)quinazolin-2-yl)methanol
CID 46892495
[7-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 46892496
(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
CID 46892626
(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
CID 46892628
(4-fluorophenyl)-[8-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
CID 46893124

Frequently Asked Questions

What is the IUPAC name of [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol (CID 46893257) is [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccc(Br)cc2n1.
What is the InChIKey of [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is XMAPDTJKACDCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN5O/c19-11-3-6-13-14(9-11)22-18(16(26)10-1-4-12(20)5-2-10)24-17(13)23-15-7-8-21-25-15/h1-9,16,26H,(H2,21,22,23,24,25).
What are the key properties of [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol?
[7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 414.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bromo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 46893257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).