1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol

C25H28ClFN6O — CID 24989395

About 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol

1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 24989395) has the molecular formula C25H28ClFN6O and a molecular weight of 482.99 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol
• PubChem CID: 24989395
• Molecular Formula: C25H28ClFN6O
• Molecular Weight: 482.99 g/mol
• Exact Mass: 482.20
• IUPAC Name: 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol
• SMILES: C[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(C(O)C(C)(C)N(C)C)cc1
• InChI: InChI=1S/C25H28ClFN6O/c1-15(16-8-10-17(11-9-16)22(34)25(2,3)32(4)5)30-24-29-13-19(27)21(31-24)20-14-28-23-18(26)7-6-12-33(20)23/h6-15,22,34H,1-5H3,(H,29,30,31)/t15-,22?/m0/s1
• InChIKey: HFZNNYXTHSMURD-UEDXYCIISA-N
• XLogP: 5.13
• TPSA: 78.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.99
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol?

The IUPAC name of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol (CID 24989395) is 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol.

What is the SMILES notation for 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol?

The canonical SMILES for 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol is C[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(C(O)C(C)(C)N(C)C)cc1.

What is the InChIKey of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol?

The InChIKey is HFZNNYXTHSMURD-UEDXYCIISA-N. The full InChI is InChI=1S/C25H28ClFN6O/c1-15(16-8-10-17(11-9-16)22(34)25(2,3)32(4)5)30-24-29-13-19(27)21(31-24)20-14-28-23-18(26)7-6-12-33(20)23/h6-15,22,34H,1-5H3,(H,29,30,31)/t15-,22?/m0/s1.

What are the key properties of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol?

1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 482.99 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 24989395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).