6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide

C20H13F3N8O3 — CID 162574503

About 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide

6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide (PubChem CID 162574503) has the molecular formula C20H13F3N8O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
• PubChem CID: 162574503
• Molecular Formula: C20H13F3N8O3
• Molecular Weight: 470.37 g/mol
• Exact Mass: 470.11
• IUPAC Name: 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
• SMILES: N#Cc1cc(N2C[C@H](N=O)n3ncc(NC(=O)c4ccc(N)nc4)c3C2=O)ccc1C(F)(F)F
• InChI: InChI=1S/C20H13F3N8O3/c21-20(22,23)13-3-2-12(5-11(13)6-24)30-9-16(29-34)31-17(19(30)33)14(8-27-31)28-18(32)10-1-4-15(25)26-7-10/h1-5,7-8,16H,9H2,(H2,25,26)(H,28,32)/t16-/m1/s1
• InChIKey: OTXDSVIPGQMMMP-MRXNPFEDSA-N
• XLogP: 2.93
• TPSA: 159.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.37
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide (CID 162574503) is 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide is N#Cc1cc(N2C[C@H](N=O)n3ncc(NC(=O)c4ccc(N)nc4)c3C2=O)ccc1C(F)(F)F.

What is the InChIKey of 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The InChIKey is OTXDSVIPGQMMMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H13F3N8O3/c21-20(22,23)13-3-2-12(5-11(13)6-24)30-9-16(29-34)31-17(19(30)33)14(8-27-31)28-18(32)10-1-4-15(25)26-7-10/h1-5,7-8,16H,9H2,(H2,25,26)(H,28,32)/t16-/m1/s1.

What are the key properties of 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162574503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).