2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone

C30H37FN8O2 — CID 167699876

About 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone

2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone (PubChem CID 167699876) has the molecular formula C30H37FN8O2 and a molecular weight of 560.68 g/mol. Its IUPAC name is 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone.

Molecular Properties

• Compound Name: 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone
• PubChem CID: 167699876
• Molecular Formula: C30H37FN8O2
• Molecular Weight: 560.68 g/mol
• Exact Mass: 560.30
• IUPAC Name: 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone
• SMILES: Cn1c(Nc2cc(C(C)(C)C)n(C3CCN(CCF)C3)n2)nc2ncc(Oc3ccnc(CC(=O)C4CC4)c3)cc21
• InChI: InChI=1S/C30H37FN8O2/c1-30(2,3)26-16-27(36-39(26)21-8-11-38(18-21)12-9-31)34-29-35-28-24(37(29)4)15-23(17-33-28)41-22-7-10-32-20(13-22)14-25(40)19-5-6-19/h7,10,13,15-17,19,21H,5-6,8-9,11-12,14,18H2,1-4H3,(H,33,34,35,36)
• InChIKey: RGUAGIFOLDNGFL-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.68
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone?

The IUPAC name of 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone (CID 167699876) is 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone.

What is the SMILES notation for 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone?

The canonical SMILES for 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone is Cn1c(Nc2cc(C(C)(C)C)n(C3CCN(CCF)C3)n2)nc2ncc(Oc3ccnc(CC(=O)C4CC4)c3)cc21.

What is the InChIKey of 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone?

The InChIKey is RGUAGIFOLDNGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN8O2/c1-30(2,3)26-16-27(36-39(26)21-8-11-38(18-21)12-9-31)34-29-35-28-24(37(29)4)15-23(17-33-28)41-22-7-10-32-20(13-22)14-25(40)19-5-6-19/h7,10,13,15-17,19,21H,5-6,8-9,11-12,14,18H2,1-4H3,(H,33,34,35,36).

What are the key properties of 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone?

2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone has a molecular weight of 560.68 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone is sourced from PubChem (CID 167699876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).