SQICRJZPQDZIFJ-UHFFFAOYSA-N

C₁₈H₂₀F₃N₇O₂ — CID 86302752

About SQICRJZPQDZIFJ-UHFFFAOYSA-N

SQICRJZPQDZIFJ-UHFFFAOYSA-N (PubChem CID 86302752) has the molecular formula C₁₈H₂₀F₃N₇O₂ and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: SQICRJZPQDZIFJ-UHFFFAOYSA-N
• PubChem CID: 86302752
• Molecular Formula: C₁₈H₂₀F₃N₇O₂
• Molecular Weight: 423.40 g/mol
• Exact Mass: 423.16
• IUPAC Name: 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
• InChI: InChI=1S/C18H20F3N7O2/c1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28/h4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29)
• InChIKey: SQICRJZPQDZIFJ-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 110.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.40
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of SQICRJZPQDZIFJ-UHFFFAOYSA-N?

The IUPAC name of SQICRJZPQDZIFJ-UHFFFAOYSA-N (CID 86302752) is 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for SQICRJZPQDZIFJ-UHFFFAOYSA-N?

The canonical SMILES for SQICRJZPQDZIFJ-UHFFFAOYSA-N is CN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.

What is the InChIKey of SQICRJZPQDZIFJ-UHFFFAOYSA-N?

The InChIKey is SQICRJZPQDZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O2/c1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28/h4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29).

What are the key properties of SQICRJZPQDZIFJ-UHFFFAOYSA-N?

SQICRJZPQDZIFJ-UHFFFAOYSA-N has a molecular weight of 423.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for SQICRJZPQDZIFJ-UHFFFAOYSA-N is sourced from PubChem (CID 86302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86302752 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.