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

C20H21FN8O — CID 146572539

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

N-[(1R,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146572539) has the molecular formula C20H21FN8O and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclobutyl]-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,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146572539
• Molecular Formula: C20H21FN8O
• Molecular Weight: 408.44 g/mol
• Exact Mass: 408.18
• IUPAC Name: N-[(1R,2R)-2-fluorocyclobutyl]-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]4CC[C@H]4F)c3n2)n2ccnc12
• InChI: InChI=1S/C20H21FN8O/c1-22-14-5-6-16(28-8-7-24-19(14)28)15-9-17(23-2)29-18(26-15)11(10-25-29)20(30)27-13-4-3-12(13)21/h5-10,12-13,22-23H,3-4H2,1-2H3,(H,27,30)/t12-,13-/m1/s1
• InChIKey: SRFWQRHPGOEXLS-CHWSQXEVSA-N
• XLogP: 2.36
• TPSA: 100.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.44
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclobutyl]-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,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146572539) is N-[(1R,2R)-2-fluorocyclobutyl]-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,2R)-2-fluorocyclobutyl]-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,2R)-2-fluorocyclobutyl]-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]4CC[C@H]4F)c3n2)n2ccnc12.

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

The InChIKey is SRFWQRHPGOEXLS-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H21FN8O/c1-22-14-5-6-16(28-8-7-24-19(14)28)15-9-17(23-2)29-18(26-15)11(10-25-29)20(30)27-13-4-3-12(13)21/h5-10,12-13,22-23H,3-4H2,1-2H3,(H,27,30)/t12-,13-/m1/s1.

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

N-[(1R,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146572539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).