5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

C22H16F3N9O — CID 58935822

About 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 58935822) has the molecular formula C22H16F3N9O and a molecular weight of 479.43 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• PubChem CID: 58935822
• Molecular Formula: C22H16F3N9O
• Molecular Weight: 479.43 g/mol
• Exact Mass: 479.14
• IUPAC Name: 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• SMILES: O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3nc(Nc4cc(C5CC5)[nH]n4)nc(-c4ccncc4)n3)cc12
• InChI: InChI=1S/C22H16F3N9O/c23-22(24,25)14-8-16-13(20(35)34-32-16)7-12(14)19-28-18(11-3-5-26-6-4-11)29-21(30-19)27-17-9-15(31-33-17)10-1-2-10/h3-10H,1-2H2,(H2,32,34,35)(H2,27,28,29,30,31,33)
• InChIKey: UEHUMEZANDRHBT-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 140.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.43
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 58935822) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3nc(Nc4cc(C5CC5)[nH]n4)nc(-c4ccncc4)n3)cc12.

What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The InChIKey is UEHUMEZANDRHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N9O/c23-22(24,25)14-8-16-13(20(35)34-32-16)7-12(14)19-28-18(11-3-5-26-6-4-11)29-21(30-19)27-17-9-15(31-33-17)10-1-2-10/h3-10H,1-2H2,(H2,32,34,35)(H2,27,28,29,30,31,33).

What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 479.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).