5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide

C25H26FN9O2 — CID 123551878

About 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide

5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 123551878) has the molecular formula C25H26FN9O2 and a molecular weight of 503.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide
• PubChem CID: 123551878
• Molecular Formula: C25H26FN9O2
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.22
• IUPAC Name: 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide
• SMILES: CC(C)(C)c1cnc(C(=O)Nc2cc(C3=CC(Nc4cc5n(n4)CCNC5)C(=O)N=N3)ccc2F)cn1
• InChI: InChI=1S/C25H26FN9O2/c1-25(2,3)21-13-28-20(12-29-21)23(36)31-18-8-14(4-5-16(18)26)17-10-19(24(37)33-32-17)30-22-9-15-11-27-6-7-35(15)34-22/h4-5,8-10,12-13,19,27H,6-7,11H2,1-3H3,(H,30,34)(H,31,36)
• InChIKey: ZAXDZQXBCVIJFO-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 138.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide (CID 123551878) is 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide is CC(C)(C)c1cnc(C(=O)Nc2cc(C3=CC(Nc4cc5n(n4)CCNC5)C(=O)N=N3)ccc2F)cn1.

What is the InChIKey of 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide?

The InChIKey is ZAXDZQXBCVIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O2/c1-25(2,3)21-13-28-20(12-29-21)23(36)31-18-8-14(4-5-16(18)26)17-10-19(24(37)33-32-17)30-22-9-15-11-27-6-7-35(15)34-22/h4-5,8-10,12-13,19,27H,6-7,11H2,1-3H3,(H,30,34)(H,31,36).

What are the key properties of 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide?

5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 503.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 123551878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).