1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol

C26H35N7O — CID 154641049

About 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol

1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 154641049) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
• PubChem CID: 154641049
• Molecular Formula: C26H35N7O
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.29
• IUPAC Name: 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
• SMILES: Cc1c(-c2[nH]c3cnc(C4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C26H35N7O/c1-15(2)21-22(19-12-33-25(28-14-29-33)17(4)16(19)3)30-20-11-27-24(31-23(20)21)18-7-9-32(10-8-18)13-26(5,6)34/h11-12,14-15,18,30,34H,7-10,13H2,1-6H3
• InChIKey: ZGDOQWKLIQGZCW-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 95.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol (CID 154641049) is 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol is Cc1c(-c2[nH]c3cnc(C4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?

The InChIKey is ZGDOQWKLIQGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O/c1-15(2)21-22(19-12-33-25(28-14-29-33)17(4)16(19)3)30-20-11-27-24(31-23(20)21)18-7-9-32(10-8-18)13-26(5,6)34/h11-12,14-15,18,30,34H,7-10,13H2,1-6H3.

What are the key properties of 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol?

1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 461.61 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 154641049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).