[6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

C27H33N5O2 — CID 160756268

About [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

[6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (PubChem CID 160756268) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

Molecular Properties

• Compound Name: [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
• PubChem CID: 160756268
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.26
• IUPAC Name: [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
• SMILES: CC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(CC4COC4)CC3)nc12
• InChI: InChI=1S/C27H33N5O2/c1-16(2)24-25(20-10-21(12-33)27-28-15-29-32(27)11-20)31-23-8-7-22(30-26(23)24)19-5-3-17(4-6-19)9-18-13-34-14-18/h7-8,10-11,15-19,31,33H,3-6,9,12-14H2,1-2H3
• InChIKey: RXLZVLMYOFIHPQ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 88.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?

The IUPAC name of [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (CID 160756268) is [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

What is the SMILES notation for [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?

The canonical SMILES for [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is CC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(CC4COC4)CC3)nc12.

What is the InChIKey of [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?

The InChIKey is RXLZVLMYOFIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-16(2)24-25(20-10-21(12-33)27-28-15-29-32(27)11-20)31-23-8-7-22(30-26(23)24)19-5-3-17(4-6-19)9-18-13-34-14-18/h7-8,10-11,15-19,31,33H,3-6,9,12-14H2,1-2H3.

What are the key properties of [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?

[6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol has a molecular weight of 459.59 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is sourced from PubChem (CID 160756268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).