2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C17H12F3N5S — CID 56928336

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3sccc23)n[nH]1
InChIInChI=1S/C17H12F3N5S/c1-9-8-13(25-24-9)21-14-12-6-7-26-15(12)23-16(22-14)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyUWCXWPPTFQLOKN-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.75
Rot. Bonds4

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

2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 56928336) has the molecular formula C17H12F3N5S and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID56928336
Molecular FormulaC17H12F3N5S
Molecular Weight375.38 g/mol
Exact Mass375.08
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3sccc23)n[nH]1
InChIInChI=1S/C17H12F3N5S/c1-9-8-13(25-24-9)21-14-12-6-7-26-15(12)23-16(22-14)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyUWCXWPPTFQLOKN-UHFFFAOYSA-N
XLogP4.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
CID 49830886
CID 49830886
3-methyl-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-5-amine
CID 675346
2-{4-allyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 2816338
N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53316790
N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53317961
6-[(2-Fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71602961
2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178549
6-Amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile
CID 666603
N-[(4-fluorophenyl)methyl]-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 89445225
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757858
(2S)-1-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596639

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 56928336) is 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3sccc23)n[nH]1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UWCXWPPTFQLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5S/c1-9-8-13(25-24-9)21-14-12-6-7-26-15(12)23-16(22-14)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 375.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56928336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).