(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol

C17H14FN5OS — CID 56928435

IUPAC(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3sccc23)n[nH]1
InChIInChI=1S/C17H14FN5OS/c1-9-8-13(23-22-9)19-15-12-6-7-25-17(12)21-16(20-15)14(24)10-2-4-11(18)5-3-10/h2-8,14,24H,1H3,(H2,19,20,21,22,23)
InChIKeyIIHXPSHYEVJTMF-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.69
Rot. Bonds4

About (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol

(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 56928435) has the molecular formula C17H14FN5OS and a molecular weight of 355.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
PubChem CID56928435
Molecular FormulaC17H14FN5OS
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC Name(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3sccc23)n[nH]1
InChIInChI=1S/C17H14FN5OS/c1-9-8-13(23-22-9)19-15-12-6-7-25-17(12)21-16(20-15)14(24)10-2-4-11(18)5-3-10/h2-8,14,24H,1H3,(H2,19,20,21,22,23)
InChIKeyIIHXPSHYEVJTMF-UHFFFAOYSA-N
XLogP3.69
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol (CID 56928435) is (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3sccc23)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is IIHXPSHYEVJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS/c1-9-8-13(23-22-9)19-15-12-6-7-25-17(12)21-16(20-15)14(24)10-2-4-11(18)5-3-10/h2-8,14,24H,1H3,(H2,19,20,21,22,23).
What are the key properties of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 355.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 56928435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).