methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate

C26H28N8O3 — CID 135195595

About methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate

methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate (PubChem CID 135195595) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate
• PubChem CID: 135195595
• Molecular Formula: C26H28N8O3
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.23
• IUPAC Name: methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate
• SMILES: COC(=O)NC1CCC(c2cc(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)on2)CC1
• InChI: InChI=1S/C26H28N8O3/c1-15(2)31-22-10-24(34-25-18(13-30-34)8-16(11-27)12-29-25)28-14-20(22)23-9-21(33-37-23)17-4-6-19(7-5-17)32-26(35)36-3/h8-10,12-15,17,19H,4-7H2,1-3H3,(H,28,31)(H,32,35)
• InChIKey: UEOQUTAUKJZILN-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 143.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate?

The IUPAC name of methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate (CID 135195595) is methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate.

What is the SMILES notation for methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate?

The canonical SMILES for methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate is COC(=O)NC1CCC(c2cc(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)on2)CC1.

What is the InChIKey of methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate?

The InChIKey is UEOQUTAUKJZILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3/c1-15(2)31-22-10-24(34-25-18(13-30-34)8-16(11-27)12-29-25)28-14-20(22)23-9-21(33-37-23)17-4-6-19(7-5-17)32-26(35)36-3/h8-10,12-15,17,19H,4-7H2,1-3H3,(H,28,31)(H,32,35).

What are the key properties of methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate?

methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate has a molecular weight of 500.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]cyclohexyl]carbamate is sourced from PubChem (CID 135195595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).