N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C25H29N5O4 — CID 164555050

About N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 164555050) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 164555050
• Molecular Formula: C25H29N5O4
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.22
• IUPAC Name: N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc([C@@]34CC[C@@](C)(C3)OC4)cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O
• InChI: InChI=1S/C25H29N5O4/c1-15(2)34-19-10-21-28-20(25-8-7-24(3,13-25)33-14-25)12-29(21)11-17(19)22(31)27-18-6-9-26-30(23(18)32)16-4-5-16/h6,9-12,15-16H,4-5,7-8,13-14H2,1-3H3,(H,27,31)/t24-,25-/m0/s1
• InChIKey: KZVDIUHTTKRTLZ-DQEYMECFSA-N
• XLogP: 3.48
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 164555050) is N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc([C@@]34CC[C@@](C)(C3)OC4)cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O.

What is the InChIKey of N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is KZVDIUHTTKRTLZ-DQEYMECFSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-15(2)34-19-10-21-28-20(25-8-7-24(3,13-25)33-14-25)12-29(21)11-17(19)22(31)27-18-6-9-26-30(23(18)32)16-4-5-16/h6,9-12,15-16H,4-5,7-8,13-14H2,1-3H3,(H,27,31)/t24-,25-/m0/s1.

What are the key properties of N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 164555050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).