7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine

C26H25ClF3N9O2 — CID 164559279

About 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine

7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 164559279) has the molecular formula C26H25ClF3N9O2 and a molecular weight of 587.99 g/mol. Its IUPAC name is 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
• PubChem CID: 164559279
• Molecular Formula: C26H25ClF3N9O2
• Molecular Weight: 587.99 g/mol
• Exact Mass: 587.18
• IUPAC Name: 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
• SMILES: CNc1nccn2ncc(Oc3cnc4nc(Nc5cc(O[C@@H]6CCN(C)C6)cc(C(F)(F)F)c5)n(C)c4c3Cl)c12
• InChI: InChI=1S/C26H25ClF3N9O2/c1-31-23-21-19(12-34-39(21)7-5-32-23)41-18-11-33-24-22(20(18)27)38(3)25(36-24)35-15-8-14(26(28,29)30)9-17(10-15)40-16-4-6-37(2)13-16/h5,7-12,16H,4,6,13H2,1-3H3,(H,31,32)(H,33,35,36)/t16-/m1/s1
• InChIKey: BUBMVEKARGGPPB-MRXNPFEDSA-N
• XLogP: 5.34
• TPSA: 106.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	587.99
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (CID 164559279) is 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is CNc1nccn2ncc(Oc3cnc4nc(Nc5cc(O[C@@H]6CCN(C)C6)cc(C(F)(F)F)c5)n(C)c4c3Cl)c12.

What is the InChIKey of 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?

The InChIKey is BUBMVEKARGGPPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H25ClF3N9O2/c1-31-23-21-19(12-34-39(21)7-5-32-23)41-18-11-33-24-22(20(18)27)38(3)25(36-24)35-15-8-14(26(28,29)30)9-17(10-15)40-16-4-6-37(2)13-16/h5,7-12,16H,4,6,13H2,1-3H3,(H,31,32)(H,33,35,36)/t16-/m1/s1.

What are the key properties of 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?

7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 587.99 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164559279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).