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

C17H17F2N7O2 — CID 154678691

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

N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154678691) has the molecular formula C17H17F2N7O2 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 154678691
• Molecular Formula: C17H17F2N7O2
• Molecular Weight: 389.37 g/mol
• Exact Mass: 389.14
• IUPAC Name: N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(F)cn(C)c2=O)nc2c(C(=O)NC3C[C@@H]3F)cnn12
• InChI: InChI=1S/C17H17F2N7O2/c1-20-14-5-13(22-12-3-8(18)7-25(2)17(12)28)24-15-9(6-21-26(14)15)16(27)23-11-4-10(11)19/h3,5-7,10-11,20H,4H2,1-2H3,(H,22,24)(H,23,27)/t10-,11?/m0/s1
• InChIKey: VRZPBWDYZBLHQQ-VUWPPUDQSA-N
• XLogP: 1.19
• TPSA: 105.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.37
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154678691) is N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(C)c2=O)nc2c(C(=O)NC3C[C@@H]3F)cnn12.

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

The InChIKey is VRZPBWDYZBLHQQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C17H17F2N7O2/c1-20-14-5-13(22-12-3-8(18)7-25(2)17(12)28)24-15-9(6-21-26(14)15)16(27)23-11-4-10(11)19/h3,5-7,10-11,20H,4H2,1-2H3,(H,22,24)(H,23,27)/t10-,11?/m0/s1.

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

N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-fluorocyclopropyl]-5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154678691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).