4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine

C18H16FN7 — CID 46995962

IUPAC4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1CNc1nccc(-c2cnn(-c3ccccc3F)c2)n1
InChIInChI=1S/C18H16FN7/c1-25-9-8-20-17(25)11-22-18-21-7-6-15(24-18)13-10-23-26(12-13)16-5-3-2-4-14(16)19/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKeyFWOPRQVCVTXWQX-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.81
Rot. Bonds5

About 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine

4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 46995962) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID46995962
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1CNc1nccc(-c2cnn(-c3ccccc3F)c2)n1
InChIInChI=1S/C18H16FN7/c1-25-9-8-20-17(25)11-22-18-21-7-6-15(24-18)13-10-23-26(12-13)16-5-3-2-4-14(16)19/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKeyFWOPRQVCVTXWQX-UHFFFAOYSA-N
XLogP2.81
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-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

Related Compounds

Avapritinib
CID 118023034
Savolitinib
CID 68289010
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Amredobresib
CID 76072013
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
CID 138105936
CID 138105936

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine (CID 46995962) is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine is Cn1ccnc1CNc1nccc(-c2cnn(-c3ccccc3F)c2)n1.
What is the InChIKey of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is FWOPRQVCVTXWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c1-25-9-8-20-17(25)11-22-18-21-7-6-15(24-18)13-10-23-26(12-13)16-5-3-2-4-14(16)19/h2-10,12H,11H2,1H3,(H,21,22,24).
What are the key properties of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 349.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 46995962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).