2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18F3N7O2 — CID 140653124

About 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140653124) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 140653124
• Molecular Formula: C19H18F3N7O2
• Molecular Weight: 433.39 g/mol
• Exact Mass: 433.15
• IUPAC Name: 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: NC(=O)c1c(Nc2cnccc2OC2CC3(CCN3)C2)nn2ccc(C(F)(F)F)nc12
• InChI: InChI=1S/C19H18F3N7O2/c20-19(21,22)13-2-6-29-17(27-13)14(15(23)30)16(28-29)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18/h1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,30)(H,26,28)
• InChIKey: URCFXHIJWRESIY-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 119.46 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	433.39
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140653124) is 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(Nc2cnccc2OC2CC3(CCN3)C2)nn2ccc(C(F)(F)F)nc12.

What is the InChIKey of 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is URCFXHIJWRESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c20-19(21,22)13-2-6-29-17(27-13)14(15(23)30)16(28-29)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18/h1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,30)(H,26,28).

What are the key properties of 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140653124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).