5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one

C26H26N8O4 — CID 164559718

About 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one

5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one (PubChem CID 164559718) has the molecular formula C26H26N8O4 and a molecular weight of 514.55 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one
• PubChem CID: 164559718
• Molecular Formula: C26H26N8O4
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.21
• IUPAC Name: 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one
• SMILES: COc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C4CC4)cn([C@H]4CC[C@@H]4O)c3=O)n(C)c12
• InChI: InChI=1S/C26H26N8O4/c1-32-22-23(37-2)21(38-20-12-29-34-8-7-27-10-18(20)34)11-28-24(22)31-26(32)30-16-9-15(14-3-4-14)13-33(25(16)36)17-5-6-19(17)35/h7-14,17,19,35H,3-6H2,1-2H3,(H,28,30,31)/t17-,19-/m0/s1
• InChIKey: FJEBEHDFJNANMZ-HKUYNNGSSA-N
• XLogP: 3.29
• TPSA: 133.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one?

The IUPAC name of 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one (CID 164559718) is 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one.

What is the SMILES notation for 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one?

The canonical SMILES for 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one is COc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C4CC4)cn([C@H]4CC[C@@H]4O)c3=O)n(C)c12.

What is the InChIKey of 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one?

The InChIKey is FJEBEHDFJNANMZ-HKUYNNGSSA-N. The full InChI is InChI=1S/C26H26N8O4/c1-32-22-23(37-2)21(38-20-12-29-34-8-7-27-10-18(20)34)11-28-24(22)31-26(32)30-16-9-15(14-3-4-14)13-33(25(16)36)17-5-6-19(17)35/h7-14,17,19,35H,3-6H2,1-2H3,(H,28,30,31)/t17-,19-/m0/s1.

What are the key properties of 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one?

5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one has a molecular weight of 514.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one is sourced from PubChem (CID 164559718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).