3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol

C28H32N8O3S — CID 123142348

About 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol

3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol (PubChem CID 123142348) has the molecular formula C28H32N8O3S and a molecular weight of 560.68 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol.

Molecular Properties

• Compound Name: 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
• PubChem CID: 123142348
• Molecular Formula: C28H32N8O3S
• Molecular Weight: 560.68 g/mol
• Exact Mass: 560.23
• IUPAC Name: 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
• SMILES: Cc1nc(NCc2cn3ccccc3n2)nc(NC2(O)CCC(C(C)(C)O)C2O)c1-c1nc2c(C)nccc2s1
• InChI: InChI=1S/C28H32N8O3S/c1-15-21(25-33-22-16(2)29-11-9-19(22)40-25)24(35-28(39)10-8-18(23(28)37)27(3,4)38)34-26(31-15)30-13-17-14-36-12-6-5-7-20(36)32-17/h5-7,9,11-12,14,18,23,37-39H,8,10,13H2,1-4H3,(H2,30,31,34,35)
• InChIKey: YLRODJDDYSXVPC-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 153.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.68
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?

The IUPAC name of 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol (CID 123142348) is 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol.

What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?

The canonical SMILES for 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol is Cc1nc(NCc2cn3ccccc3n2)nc(NC2(O)CCC(C(C)(C)O)C2O)c1-c1nc2c(C)nccc2s1.

What is the InChIKey of 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?

The InChIKey is YLRODJDDYSXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O3S/c1-15-21(25-33-22-16(2)29-11-9-19(22)40-25)24(35-28(39)10-8-18(23(28)37)27(3,4)38)34-26(31-15)30-13-17-14-36-12-6-5-7-20(36)32-17/h5-7,9,11-12,14,18,23,37-39H,8,10,13H2,1-4H3,(H2,30,31,34,35).

What are the key properties of 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol?

3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol has a molecular weight of 560.68 g/mol, XLogP of 3.67, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-hydroxypropan-2-yl)-1-[[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol is sourced from PubChem (CID 123142348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).