5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18FN7O2 — CID 146560719

About 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560719) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560719
• Molecular Formula: C18H18FN7O2
• Molecular Weight: 383.39 g/mol
• Exact Mass: 383.15
• IUPAC Name: 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=NC(=O)c1cnn2c(NC)cc(Nc3cccn(C4CC(F)C4)c3=O)nc12
• InChI: InChI=1S/C18H18FN7O2/c1-20-15-8-14(24-16-12(17(27)21-2)9-22-26(15)16)23-13-4-3-5-25(18(13)28)11-6-10(19)7-11/h3-5,8-11,20H,2,6-7H2,1H3,(H,23,24)
• InChIKey: DUFTVGNHGQQMBW-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.39
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560719) is 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide is C=NC(=O)c1cnn2c(NC)cc(Nc3cccn(C4CC(F)C4)c3=O)nc12.

What is the InChIKey of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DUFTVGNHGQQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-20-15-8-14(24-16-12(17(27)21-2)9-22-26(15)16)23-13-4-3-5-25(18(13)28)11-6-10(19)7-11/h3-5,8-11,20H,2,6-7H2,1H3,(H,23,24).

What are the key properties of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).