3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol

C24H26ClN9O2 — CID 164558531

About 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol

3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol (PubChem CID 164558531) has the molecular formula C24H26ClN9O2 and a molecular weight of 507.99 g/mol. Its IUPAC name is 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol
• PubChem CID: 164558531
• Molecular Formula: C24H26ClN9O2
• Molecular Weight: 507.99 g/mol
• Exact Mass: 507.19
• IUPAC Name: 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol
• SMILES: Cn1c(Nc2cc(C(C)(C)C)n(C3CC(O)C3)n2)nc2ncc(Oc3cnn4ccncc34)c(Cl)c21
• InChI: InChI=1S/C24H26ClN9O2/c1-24(2,3)18-9-19(31-34(18)13-7-14(35)8-13)29-23-30-22-21(32(23)4)20(25)17(11-27-22)36-16-12-28-33-6-5-26-10-15(16)33/h5-6,9-14,35H,7-8H2,1-4H3,(H,27,29,30,31)
• InChIKey: UEHPRLFDJCKVBV-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 120.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.99
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol?

The IUPAC name of 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol (CID 164558531) is 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol.

What is the SMILES notation for 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol?

The canonical SMILES for 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol is Cn1c(Nc2cc(C(C)(C)C)n(C3CC(O)C3)n2)nc2ncc(Oc3cnn4ccncc34)c(Cl)c21.

What is the InChIKey of 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol?

The InChIKey is UEHPRLFDJCKVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN9O2/c1-24(2,3)18-9-19(31-34(18)13-7-14(35)8-13)29-23-30-22-21(32(23)4)20(25)17(11-27-22)36-16-12-28-33-6-5-26-10-15(16)33/h5-6,9-14,35H,7-8H2,1-4H3,(H,27,29,30,31).

What are the key properties of 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol?

3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol has a molecular weight of 507.99 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 164558531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).