N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19FN8O — CID 146560788

About N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560788) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560788
• Molecular Formula: C19H19FN8O
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.17
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1ccc(-c2cc(NC)n3ncc(C(=O)N[C@@H]4C[C@@H]4F)c3n2)n2ccnc12
• InChI: InChI=1S/C19H19FN8O/c1-21-12-3-4-15(27-6-5-23-18(12)27)14-8-16(22-2)28-17(25-14)10(9-24-28)19(29)26-13-7-11(13)20/h3-6,8-9,11,13,21-22H,7H2,1-2H3,(H,26,29)/t11-,13+/m0/s1
• InChIKey: XAXJQTHYYHMHAT-WCQYABFASA-N
• XLogP: 1.97
• TPSA: 100.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560788) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1ccc(-c2cc(NC)n3ncc(C(=O)N[C@@H]4C[C@@H]4F)c3n2)n2ccnc12.

What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XAXJQTHYYHMHAT-WCQYABFASA-N. The full InChI is InChI=1S/C19H19FN8O/c1-21-12-3-4-15(27-6-5-23-18(12)27)14-8-16(22-2)28-17(25-14)10(9-24-28)19(29)26-13-7-11(13)20/h3-6,8-9,11,13,21-22H,7H2,1-2H3,(H,26,29)/t11-,13+/m0/s1.

What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).