N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C23H23N9O3 — CID 46174264

About N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 46174264) has the molecular formula C23H23N9O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 46174264
• Molecular Formula: C23H23N9O3
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.19
• IUPAC Name: N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(C[C@H](O)CO)c5)cc43)ccc2n1)C1CC1
• InChI: InChI=1S/C23H23N9O3/c33-13-18(34)11-30-9-16(8-24-30)15-3-5-19-20(7-15)31(29-27-19)10-17-4-6-22-25-21(12-32(22)28-17)26-23(35)14-1-2-14/h3-9,12,14,18,33-34H,1-2,10-11,13H2,(H,26,35)/t18-/m0/s1
• InChIKey: BRCNYCPTIIMSKO-SFHVURJKSA-N
• XLogP: 1.09
• TPSA: 148.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 46174264) is N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(C[C@H](O)CO)c5)cc43)ccc2n1)C1CC1.

What is the InChIKey of N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is BRCNYCPTIIMSKO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N9O3/c33-13-18(34)11-30-9-16(8-24-30)15-3-5-19-20(7-15)31(29-27-19)10-17-4-6-22-25-21(12-32(22)28-17)26-23(35)14-1-2-14/h3-9,12,14,18,33-34H,1-2,10-11,13H2,(H,26,35)/t18-/m0/s1.

What are the key properties of N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 473.50 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).