N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine

C108H103ClF4N24O2 — CID 157179293

About N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine

N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 157179293) has the molecular formula C108H103ClF4N24O2 and a molecular weight of 1880.62 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
• PubChem CID: 157179293
• Molecular Formula: C108H103ClF4N24O2
• Molecular Weight: 1880.62 g/mol
• Exact Mass: 1878.83
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
• SMILES: CN(C)Cc1ccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
• InChI: InChI=1S/C28H25FN6O2.C28H27FN6.C27H24ClFN6.C25H27FN6/c1-34(2)16-19-10-12-35-25(14-19)33-26(20-4-6-21(29)7-5-20)27(35)22-9-11-30-28(32-22)31-15-18-3-8-23-24(13-18)37-17-36-23;1-19-4-6-20(7-5-19)17-31-28-30-14-12-24(32-28)27-26(22-8-10-23(29)11-9-22)33-25-16-21(18-34(2)3)13-15-35(25)27;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(29)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)28;1-31(2)16-17-12-14-32-22(15-17)30-23(18-7-9-19(26)10-8-18)24(32)21-11-13-27-25(29-21)28-20-5-3-4-6-20/h3-14H,15-17H2,1-2H3,(H,30,31,32);4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);7-15,20H,3-6,16H2,1-2H3,(H,27,28,29)
• InChIKey: AOJPXUWBNCINMA-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 251.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1880.62
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (CID 157179293) is N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?

The InChIKey is AOJPXUWBNCINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2.C28H27FN6.C27H24ClFN6.C25H27FN6/c1-34(2)16-19-10-12-35-25(14-19)33-26(20-4-6-21(29)7-5-20)27(35)22-9-11-30-28(32-22)31-15-18-3-8-23-24(13-18)37-17-36-23;1-19-4-6-20(7-5-19)17-31-28-30-14-12-24(32-28)27-26(22-8-10-23(29)11-9-22)33-25-16-21(18-34(2)3)13-15-35(25)27;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(29)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)28;1-31(2)16-17-12-14-32-22(15-17)30-23(18-7-9-19(26)10-8-18)24(32)21-11-13-27-25(29-21)28-20-5-3-4-6-20/h3-14H,15-17H2,1-2H3,(H,30,31,32);4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);7-15,20H,3-6,16H2,1-2H3,(H,27,28,29).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?

N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 1880.62 g/mol, XLogP of 21.52, 27 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 157179293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).