5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17F3N6O3 — CID 154678793

About 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154678793) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 154678793
• Molecular Formula: C19H17F3N6O3
• Molecular Weight: 434.38 g/mol
• Exact Mass: 434.13
• IUPAC Name: 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NC3C[C@@H]3F)cnn12
• InChI: InChI=1S/C19H17F3N6O3/c1-23-14-6-13(26-16-15(22)10(21)5-12-17(16)31-3-2-30-12)27-18-8(7-24-28(14)18)19(29)25-11-4-9(11)20/h5-7,9,11,23H,2-4H2,1H3,(H,25,29)(H,26,27)/t9-,11?/m0/s1
• InChIKey: LVEAZZIYTPXWLU-FTNKSUMCSA-N
• XLogP: 2.40
• TPSA: 101.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.38
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154678793) is 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NC3C[C@@H]3F)cnn12.

What is the InChIKey of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LVEAZZIYTPXWLU-FTNKSUMCSA-N. The full InChI is InChI=1S/C19H17F3N6O3/c1-23-14-6-13(26-16-15(22)10(21)5-12-17(16)31-3-2-30-12)27-18-8(7-24-28(14)18)19(29)25-11-4-9(11)20/h5-7,9,11,23H,2-4H2,1H3,(H,25,29)(H,26,27)/t9-,11?/m0/s1.

What are the key properties of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-[(2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154678793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).