6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine

C21H18F2N6 — CID 167942070

IUPAC6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc(C2CC2)n1
InChIInChI=1S/C21H18F2N6/c22-14-5-3-13(4-6-14)20-17(29-11-15(23)7-8-19(29)28-20)10-25-18-9-16(12-1-2-12)26-21(24)27-18/h3-9,11-12H,1-2,10H2,(H3,24,25,26,27)
InChIKeySGRMWTZCJJEFDK-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.14
Rot. Bonds5

About 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine

6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 167942070) has the molecular formula C21H18F2N6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID167942070
Molecular FormulaC21H18F2N6
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Name6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc(C2CC2)n1
InChIInChI=1S/C21H18F2N6/c22-14-5-3-13(4-6-14)20-17(29-11-15(23)7-8-19(29)28-20)10-25-18-9-16(12-1-2-12)26-21(24)27-18/h3-9,11-12H,1-2,10H2,(H3,24,25,26,27)
InChIKeySGRMWTZCJJEFDK-UHFFFAOYSA-N
XLogP4.14
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine 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 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine (CID 167942070) is 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine is Nc1nc(NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is SGRMWTZCJJEFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6/c22-14-5-3-13(4-6-14)20-17(29-11-15(23)7-8-19(29)28-20)10-25-18-9-16(12-1-2-12)26-21(24)27-18/h3-9,11-12H,1-2,10H2,(H3,24,25,26,27).
What are the key properties of 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine?
6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 392.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 167942070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).