2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13FN8O — CID 90199457

About 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199457) has the molecular formula C16H13FN8O and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90199457
• Molecular Formula: C16H13FN8O
• Molecular Weight: 352.33 g/mol
• Exact Mass: 352.12
• IUPAC Name: 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nccn1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
• InChI: InChI=1S/C16H13FN8O/c1-9-20-4-5-24(9)12-2-3-19-7-11(12)22-16(26)13-14(18)23-25-8-10(17)6-21-15(13)25/h2-8H,1H3,(H2,18,23)(H,22,26)
• InChIKey: CUEZMWWVSQPIBZ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 116.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.33
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199457) is 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nccn1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.

What is the InChIKey of 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CUEZMWWVSQPIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN8O/c1-9-20-4-5-24(9)12-2-3-19-7-11(12)22-16(26)13-14(18)23-25-8-10(17)6-21-15(13)25/h2-8H,1H3,(H2,18,23)(H,22,26).

What are the key properties of 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).