N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid

C24H24N8O5 — CID 175731569

About N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid

N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid (PubChem CID 175731569) has the molecular formula C24H24N8O5 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid
• PubChem CID: 175731569
• Molecular Formula: C24H24N8O5
• Molecular Weight: 504.51 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid
• SMILES: O=C(Nc1cn(C2CN(C(=O)NC3CC3)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO
• InChI: InChI=1S/C23H22N8O3.CH2O2/c32-22(20-7-6-19(34-20)14-9-25-26-10-14)28-18-13-31(29-21(18)17-3-1-2-8-24-17)16-11-30(12-16)23(33)27-15-4-5-15;2-1-3/h1-3,6-10,13,15-16H,4-5,11-12H2,(H,25,26)(H,27,33)(H,28,32);1H,(H,2,3)
• InChIKey: XREOZTHFMZWKHM-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 171.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.51
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid?

The IUPAC name of N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid (CID 175731569) is N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid.

What is the SMILES notation for N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid?

The canonical SMILES for N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid is O=C(Nc1cn(C2CN(C(=O)NC3CC3)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.

What is the InChIKey of N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid?

The InChIKey is XREOZTHFMZWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3.CH2O2/c32-22(20-7-6-19(34-20)14-9-25-26-10-14)28-18-13-31(29-21(18)17-3-1-2-8-24-17)16-11-30(12-16)23(33)27-15-4-5-15;2-1-3/h1-3,6-10,13,15-16H,4-5,11-12H2,(H,25,26)(H,27,33)(H,28,32);1H,(H,2,3).

What are the key properties of N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid?

N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid has a molecular weight of 504.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid is sourced from PubChem (CID 175731569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).