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

C26H28ClFN6O — CID 24988297

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

[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol (PubChem CID 24988297) has the molecular formula C26H28ClFN6O and a molecular weight of 495.00 g/mol. Its IUPAC name is [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol.

Molecular Properties

• Compound Name: [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol
• PubChem CID: 24988297
• Molecular Formula: C26H28ClFN6O
• Molecular Weight: 495.00 g/mol
• Exact Mass: 494.20
• IUPAC Name: [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol
• SMILES: C[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(C(O)C2(C)CCCN2C)cc1
• InChI: InChI=1S/C26H28ClFN6O/c1-16(17-7-9-18(10-8-17)23(35)26(2)11-5-12-33(26)3)31-25-30-14-20(28)22(32-25)21-15-29-24-19(27)6-4-13-34(21)24/h4,6-10,13-16,23,35H,5,11-12H2,1-3H3,(H,30,31,32)/t16-,23?,26?/m0/s1
• InChIKey: HQXSKTZXIDPGCH-NASGJUIXSA-N
• XLogP: 5.27
• TPSA: 78.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.00
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol (CID 24988297) is [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol.

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

The canonical SMILES for [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol is C[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(C(O)C2(C)CCCN2C)cc1.

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

The InChIKey is HQXSKTZXIDPGCH-NASGJUIXSA-N. The full InChI is InChI=1S/C26H28ClFN6O/c1-16(17-7-9-18(10-8-17)23(35)26(2)11-5-12-33(26)3)31-25-30-14-20(28)22(32-25)21-15-29-24-19(27)6-4-13-34(21)24/h4,6-10,13-16,23,35H,5,11-12H2,1-3H3,(H,30,31,32)/t16-,23?,26?/m0/s1.

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

[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol has a molecular weight of 495.00 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 24988297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).