5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine

C17H16FN7S — CID 164709961

IUPAC5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine
SMILESCc1nc2cc(-c3nc(Nc4cccnn4)ncc3F)sc2n1C(C)C
InChIInChI=1S/C17H16FN7S/c1-9(2)25-10(3)21-12-7-13(26-16(12)25)15-11(18)8-19-17(23-15)22-14-5-4-6-20-24-14/h4-9H,1-3H3,(H,19,22,23,24)
InChIKeyDEGHMNTURZMJNK-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.12
Rot. Bonds4

About 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine

5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine (PubChem CID 164709961) has the molecular formula C17H16FN7S and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine
PubChem CID164709961
Molecular FormulaC17H16FN7S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC Name5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine
SMILESCc1nc2cc(-c3nc(Nc4cccnn4)ncc3F)sc2n1C(C)C
InChIInChI=1S/C17H16FN7S/c1-9(2)25-10(3)21-12-7-13(26-16(12)25)15-11(18)8-19-17(23-15)22-14-5-4-6-20-24-14/h4-9H,1-3H3,(H,19,22,23,24)
InChIKeyDEGHMNTURZMJNK-UHFFFAOYSA-N
XLogP4.12
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine 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 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine (CID 164709961) is 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine is Cc1nc2cc(-c3nc(Nc4cccnn4)ncc3F)sc2n1C(C)C.
What is the InChIKey of 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is DEGHMNTURZMJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7S/c1-9(2)25-10(3)21-12-7-13(26-16(12)25)15-11(18)8-19-17(23-15)22-14-5-4-6-20-24-14/h4-9H,1-3H3,(H,19,22,23,24).
What are the key properties of 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine?
5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 369.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-N-pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 164709961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).