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

C20H21F2N7O2 — CID 146484558

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

5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146484558) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146484558
• Molecular Formula: C20H21F2N7O2
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.17
• IUPAC Name: 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C20H21F2N7O2/c1-23-17-8-16(25-14-3-2-4-28(20(14)31)11-5-10(21)6-11)27-18-12(9-24-29(17)18)19(30)26-15-7-13(15)22/h2-4,8-11,13,15,23H,5-7H2,1H3,(H,25,27)(H,26,30)/t10?,11?,13-,15+/m0/s1
• InChIKey: HRROATYXEARKSF-JTEKXYAQSA-N
• XLogP: 2.19
• TPSA: 105.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146484558) is 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.

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

The InChIKey is HRROATYXEARKSF-JTEKXYAQSA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-23-17-8-16(25-14-3-2-4-28(20(14)31)11-5-10(21)6-11)27-18-12(9-24-29(17)18)19(30)26-15-7-13(15)22/h2-4,8-11,13,15,23H,5-7H2,1H3,(H,25,27)(H,26,30)/t10?,11?,13-,15+/m0/s1.

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

5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 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]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146484558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).