N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C25H32N8O3 — CID 168935578

About N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 168935578) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 168935578
• Molecular Formula: C25H32N8O3
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.26
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(c1ccn[nH]c1=O)n1cc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cn1
• InChI: InChI=1S/C25H32N8O3/c1-14(2)33-20(9-11-27-33)24(35)30-22(21(16-4-5-16)17-6-7-17)25(36)29-18-12-28-32(13-18)15(3)19-8-10-26-31-23(19)34/h8-17,21-22H,4-7H2,1-3H3,(H,29,36)(H,30,35)(H,31,34)/t15?,22-/m0/s1
• InChIKey: FSCZTBVPJAVJPJ-CEISFSOZSA-N
• XLogP: 2.53
• TPSA: 139.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 168935578) is N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(c1ccn[nH]c1=O)n1cc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cn1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is FSCZTBVPJAVJPJ-CEISFSOZSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-14(2)33-20(9-11-27-33)24(35)30-22(21(16-4-5-16)17-6-7-17)25(36)29-18-12-28-32(13-18)15(3)19-8-10-26-31-23(19)34/h8-17,21-22H,4-7H2,1-3H3,(H,29,36)(H,30,35)(H,31,34)/t15?,22-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[1-(6-oxo-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 168935578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).