7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine

C29H30ClF3N8O2 — CID 164560393

About 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine

7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 164560393) has the molecular formula C29H30ClF3N8O2 and a molecular weight of 615.06 g/mol. Its IUPAC name is 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 164560393
• Molecular Formula: C29H30ClF3N8O2
• Molecular Weight: 615.06 g/mol
• Exact Mass: 614.21
• IUPAC Name: 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine
• SMILES: CC(NCCN1CCOCC1)c1cc(Nc2nc3ncc(Oc4cnn5ccccc45)c(Cl)c3n2C)cc(C(F)(F)F)c1
• InChI: InChI=1S/C29H30ClF3N8O2/c1-18(34-6-8-40-9-11-42-12-10-40)19-13-20(29(31,32)33)15-21(14-19)37-28-38-27-26(39(28)2)25(30)24(16-35-27)43-23-17-36-41-7-4-3-5-22(23)41/h3-5,7,13-18,34H,6,8-12H2,1-2H3,(H,35,37,38)
• InChIKey: ZLWCUUMWJKUQBH-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 93.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.06
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine (CID 164560393) is 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine is CC(NCCN1CCOCC1)c1cc(Nc2nc3ncc(Oc4cnn5ccccc45)c(Cl)c3n2C)cc(C(F)(F)F)c1.

What is the InChIKey of 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

The InChIKey is ZLWCUUMWJKUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N8O2/c1-18(34-6-8-40-9-11-42-12-10-40)19-13-20(29(31,32)33)15-21(14-19)37-28-38-27-26(39(28)2)25(30)24(16-35-27)43-23-17-36-41-7-4-3-5-22(23)41/h3-5,7,13-18,34H,6,8-12H2,1-2H3,(H,35,37,38).

What are the key properties of 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 615.06 g/mol, XLogP of 5.81, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164560393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).