2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride

C26H33ClN8O — CID 155287302

About 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride

2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride (PubChem CID 155287302) has the molecular formula C26H33ClN8O and a molecular weight of 509.06 g/mol. Its IUPAC name is 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride
• PubChem CID: 155287302
• Molecular Formula: C26H33ClN8O
• Molecular Weight: 509.06 g/mol
• Exact Mass: 508.25
• IUPAC Name: 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride
• SMILES: CCc1cc(-c2cnc(-c3cnc(N4CC[C@@H](NC(C)(C)C)C4)nn3)c(O)c2)cn2cc(C)nc12.Cl
• InChI: InChI=1S/C26H32N8O.ClH/c1-6-17-9-19(14-34-13-16(2)29-24(17)34)18-10-22(35)23(27-11-18)21-12-28-25(32-31-21)33-8-7-20(15-33)30-26(3,4)5;/h9-14,20,30,35H,6-8,15H2,1-5H3;1H/t20-;/m1./s1
• InChIKey: BWQVOQZNNPBAOH-VEIFNGETSA-N
• XLogP: 4.21
• TPSA: 104.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.06
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride?

The IUPAC name of 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride (CID 155287302) is 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride.

What is the SMILES notation for 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride?

The canonical SMILES for 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride is CCc1cc(-c2cnc(-c3cnc(N4CC[C@@H](NC(C)(C)C)C4)nn3)c(O)c2)cn2cc(C)nc12.Cl.

What is the InChIKey of 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride?

The InChIKey is BWQVOQZNNPBAOH-VEIFNGETSA-N. The full InChI is InChI=1S/C26H32N8O.ClH/c1-6-17-9-19(14-34-13-16(2)29-24(17)34)18-10-22(35)23(27-11-18)21-12-28-25(32-31-21)33-8-7-20(15-33)30-26(3,4)5;/h9-14,20,30,35H,6-8,15H2,1-5H3;1H/t20-;/m1./s1.

What are the key properties of 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride?

2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride has a molecular weight of 509.06 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 155287302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).