(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol

C18H16FN5OS — CID 56928547

IUPAC(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3c(C)csc23)n[nH]1
InChIInChI=1S/C18H16FN5OS/c1-9-8-26-16-14(9)21-17(15(25)11-3-5-12(19)6-4-11)22-18(16)20-13-7-10(2)23-24-13/h3-8,15,25H,1-2H3,(H2,20,21,22,23,24)
InChIKeySOCPZSSVRYVWQD-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.00
Rot. Bonds4

About (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol

(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol (PubChem CID 56928547) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol
PubChem CID56928547
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3c(C)csc23)n[nH]1
InChIInChI=1S/C18H16FN5OS/c1-9-8-26-16-14(9)21-17(15(25)11-3-5-12(19)6-4-11)22-18(16)20-13-7-10(2)23-24-13/h3-8,15,25H,1-2H3,(H2,20,21,22,23,24)
InChIKeySOCPZSSVRYVWQD-UHFFFAOYSA-N
XLogP4.00
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol (CID 56928547) is (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3c(C)csc23)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol?
The InChIKey is SOCPZSSVRYVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-9-8-26-16-14(9)21-17(15(25)11-3-5-12(19)6-4-11)22-18(16)20-13-7-10(2)23-24-13/h3-8,15,25H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol?
(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol has a molecular weight of 369.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 56928547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).