1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

C18H13FN6O2 — CID 71575541

IUPAC1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C18H13FN6O2/c19-11-1-3-12(4-2-11)23-18(26)24-13-5-7-14(8-6-13)27-17-15-9-22-25-16(15)20-10-21-17/h1-10H,(H2,23,24,26)(H,20,21,22,25)
InChIKeyGXAOAPJGDJRCES-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (PubChem CID 71575541) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
PubChem CID71575541
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C18H13FN6O2/c19-11-1-3-12(4-2-11)23-18(26)24-13-5-7-14(8-6-13)27-17-15-9-22-25-16(15)20-10-21-17/h1-10H,(H2,23,24,26)(H,20,21,22,25)
InChIKeyGXAOAPJGDJRCES-UHFFFAOYSA-N
XLogP3.93
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Type II inhibitor, 5
CID 16061468
6-(2,4-Difluorophenoxy)-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Amine
CID 44517636
N-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141025097
Sdccggsk-0000007.P001
CID 9604943
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 71575642
Sklb-677
CID 92135951
3-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]urea (2)
CID 121225767
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea
CID 162651193
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3139598
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 2941340

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (CID 71575541) is 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The InChIKey is GXAOAPJGDJRCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-11-1-3-12(4-2-11)23-18(26)24-13-5-7-14(8-6-13)27-17-15-9-22-25-16(15)20-10-21-17/h1-10H,(H2,23,24,26)(H,20,21,22,25).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea has a molecular weight of 364.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is sourced from PubChem (CID 71575541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).