2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide

C16H18F3N5O2 — CID 70737551

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)11-2-3-15(26)23(9-11)10-14(25)21-7-12-6-13-8-20-4-1-5-24(13)22-12/h2-3,6,9,20H,1,4-5,7-8,10H2,(H,21,25)
InChIKeyUGNKVSPVBPOKCG-UHFFFAOYSA-N
MW369.35 g/mol
LogP0.87
Rot. Bonds4

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide (PubChem CID 70737551) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
PubChem CID70737551
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)11-2-3-15(26)23(9-11)10-14(25)21-7-12-6-13-8-20-4-1-5-24(13)22-12/h2-3,6,9,20H,1,4-5,7-8,10H2,(H,21,25)
InChIKeyUGNKVSPVBPOKCG-UHFFFAOYSA-N
XLogP0.87
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide (CID 70737551) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
The InChIKey is UGNKVSPVBPOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c17-16(18,19)11-2-3-15(26)23(9-11)10-14(25)21-7-12-6-13-8-20-4-1-5-24(13)22-12/h2-3,6,9,20H,1,4-5,7-8,10H2,(H,21,25).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide has a molecular weight of 369.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide is sourced from PubChem (CID 70737551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).