1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one

C24H27N7O2 — CID 167569551

About 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 167569551) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
• PubChem CID: 167569551
• Molecular Formula: C24H27N7O2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.22
• IUPAC Name: 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
• SMILES: CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2)ccn1
• InChI: InChI=1S/C24H27N7O2/c1-15(32)10-16-11-17(6-8-25-16)33-18-12-19-22(26-14-18)28-23(30(19)4)27-21-13-20-24(2,3)7-5-9-31(20)29-21/h6,8,11-14H,5,7,9-10H2,1-4H3,(H,26,27,28,29)
• InChIKey: SPAVFQDGYFIKAN-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

The IUPAC name of 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (CID 167569551) is 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.

What is the SMILES notation for 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

The canonical SMILES for 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2)ccn1.

What is the InChIKey of 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

The InChIKey is SPAVFQDGYFIKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15(32)10-16-11-17(6-8-25-16)33-18-12-19-22(26-14-18)28-23(30(19)4)27-21-13-20-24(2,3)7-5-9-31(20)29-21/h6,8,11-14H,5,7,9-10H2,1-4H3,(H,26,27,28,29).

What are the key properties of 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 445.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167569551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).