6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide

C21H19F2N7O3 — CID 156785810

About 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide

6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 156785810) has the molecular formula C21H19F2N7O3 and a molecular weight of 455.43 g/mol. Its IUPAC name is 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 156785810
• Molecular Formula: C21H19F2N7O3
• Molecular Weight: 455.43 g/mol
• Exact Mass: 455.15
• IUPAC Name: 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: NC(=O)c1cnc2ccc(O[C@@H]3CCN(C(=O)N4N=CC[C@H]4c4cc(F)cc(F)c4)C3)nn12
• InChI: InChI=1S/C21H19F2N7O3/c22-13-7-12(8-14(23)9-13)16-3-5-26-30(16)21(32)28-6-4-15(11-28)33-19-2-1-18-25-10-17(20(24)31)29(18)27-19/h1-2,5,7-10,15-16H,3-4,6,11H2,(H2,24,31)/t15-,16+/m1/s1
• InChIKey: UURDJKQCRQJRCX-CVEARBPZSA-N
• XLogP: 2.11
• TPSA: 118.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.43
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide (CID 156785810) is 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(O[C@@H]3CCN(C(=O)N4N=CC[C@H]4c4cc(F)cc(F)c4)C3)nn12.

What is the InChIKey of 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is UURDJKQCRQJRCX-CVEARBPZSA-N. The full InChI is InChI=1S/C21H19F2N7O3/c22-13-7-12(8-14(23)9-13)16-3-5-26-30(16)21(32)28-6-4-15(11-28)33-19-2-1-18-25-10-17(20(24)31)29(18)27-19/h1-2,5,7-10,15-16H,3-4,6,11H2,(H2,24,31)/t15-,16+/m1/s1.

What are the key properties of 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide?

6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 455.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 156785810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).