7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23F2N7O2 — CID 146560858

About 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560858) has the molecular formula C21H23F2N7O2 and a molecular weight of 443.46 g/mol. Its IUPAC name is 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560858
• Molecular Formula: C21H23F2N7O2
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.19
• IUPAC Name: 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)c1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C21H23F2N7O2/c1-28(2)18-9-17(25-15-4-3-5-29(21(15)32)12-6-11(22)7-12)27-19-13(10-24-30(18)19)20(31)26-16-8-14(16)23/h3-5,9-12,14,16H,6-8H2,1-2H3,(H,25,27)(H,26,31)/t11?,12?,14-,16+/m0/s1
• InChIKey: GFIARSRWWPPYND-REHBVBGRSA-N
• XLogP: 2.21
• TPSA: 96.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560858) is 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)c1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.

What is the InChIKey of 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GFIARSRWWPPYND-REHBVBGRSA-N. The full InChI is InChI=1S/C21H23F2N7O2/c1-28(2)18-9-17(25-15-4-3-5-29(21(15)32)12-6-11(22)7-12)27-19-13(10-24-30(18)19)20(31)26-16-8-14(16)23/h3-5,9-12,14,16H,6-8H2,1-2H3,(H,25,27)(H,26,31)/t11?,12?,14-,16+/m0/s1.

What are the key properties of 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dimethylamino)-5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).