N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide

C24H30F3N5O2S — CID 178125055

About N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide

N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide (PubChem CID 178125055) has the molecular formula C24H30F3N5O2S and a molecular weight of 509.60 g/mol. Its IUPAC name is N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide
• PubChem CID: 178125055
• Molecular Formula: C24H30F3N5O2S
• Molecular Weight: 509.60 g/mol
• Exact Mass: 509.21
• IUPAC Name: N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide
• SMILES: CC1(N2CCC(NC3=CC=CC4=C(SC(F)(F)F)C(C#CCNC(=O)C5CC5)NN34)CC2)COC1
• InChI: InChI=1S/C24H30F3N5O2S/c1-23(14-34-15-23)31-12-9-17(10-13-31)29-20-6-2-5-19-21(35-24(25,26)27)18(30-32(19)20)4-3-11-28-22(33)16-7-8-16/h2,5-6,16-18,29-30H,7-15H2,1H3,(H,28,33)
• InChIKey: HIHASBMSVQZADI-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 68.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.60
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide?

The IUPAC name of N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide (CID 178125055) is N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide?

The canonical SMILES for N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide is CC1(N2CCC(NC3=CC=CC4=C(SC(F)(F)F)C(C#CCNC(=O)C5CC5)NN34)CC2)COC1.

What is the InChIKey of N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide?

The InChIKey is HIHASBMSVQZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2S/c1-23(14-34-15-23)31-12-9-17(10-13-31)29-20-6-2-5-19-21(35-24(25,26)27)18(30-32(19)20)4-3-11-28-22(33)16-7-8-16/h2,5-6,16-18,29-30H,7-15H2,1H3,(H,28,33).

What are the key properties of N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide?

N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide has a molecular weight of 509.60 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-[[1-(3-methyloxetan-3-yl)piperidin-4-yl]amino]-3-(trifluoromethylsulfanyl)-1,2-dihydropyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide is sourced from PubChem (CID 178125055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).