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

C17H14FN5OS — CID 56928756

IUPAC(4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1csc2nc(C(O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c12
InChIInChI=1S/C17H14FN5OS/c1-9-8-25-17-13(9)15(20-12-6-7-19-23-12)21-16(22-17)14(24)10-2-4-11(18)5-3-10/h2-8,14,24H,1H3,(H2,19,20,21,22,23)
InChIKeyUTKIHDDZDDFYKP-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.69
Rot. Bonds4

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

(4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 56928756) has the molecular formula C17H14FN5OS and a molecular weight of 355.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
PubChem CID56928756
Molecular FormulaC17H14FN5OS
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC Name(4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1csc2nc(C(O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c12
InChIInChI=1S/C17H14FN5OS/c1-9-8-25-17-13(9)15(20-12-6-7-19-23-12)21-16(22-17)14(24)10-2-4-11(18)5-3-10/h2-8,14,24H,1H3,(H2,19,20,21,22,23)
InChIKeyUTKIHDDZDDFYKP-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

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

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Related Compounds

2-(difluoro(4-fluorophenyl)methyl)-N-(1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 56928337
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
CID 56928435
(4-fluorophenyl)(4-(5-methyl-1H-pyrazol-3-ylamino)thieno[3,2-d]pyrimidin-2-yl)methanol
CID 56928437
2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 56928440
2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 56928541
(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
CID 56928542
(4-Fluorophenyl)(6-methyl-4-(1-methyl-1H-imidazol-4-ylamino)thieno[2,3-d]pyrimidin-2-yl)methanol
CID 56928543
(4-fluorophenyl)-[6-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 56928544
(4-fluorophenyl)(7-methyl-4-(5-methyl-1H-pyrazol-3-ylamino)thieno[3,2-d]pyrimidin-2-yl)methanol
CID 56928547
(4-(1H-Pyrazol-3-ylamino)-7-methylthieno[3,2-d]pyrimidin-2-yl)(4-fluorophenyl)methanol
CID 56928649
(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol
CID 56928652
(6-tert-butyl-4-(5-methyl-1H-pyrazol-3-ylamino)thieno[3,2-d]pyrimidin-2-yl)(4-fluorophenyl)methanol
CID 56928653

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol (CID 56928756) is (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol is Cc1csc2nc(C(O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c12.
What is the InChIKey of (4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is UTKIHDDZDDFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS/c1-9-8-25-17-13(9)15(20-12-6-7-19-23-12)21-16(22-17)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)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
(4-fluorophenyl)-[5-methyl-4-(1H-pyrazol-5-ylamino)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)-[5-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 56928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).