2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

C17H22F3N5O3 — CID 118742749

About 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118742749) has the molecular formula C17H22F3N5O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 118742749
• Molecular Formula: C17H22F3N5O3
• Molecular Weight: 401.39 g/mol
• Exact Mass: 401.17
• IUPAC Name: 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: Cn1nc(CNC(=O)CC#N)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H21N5O.C2HF3O2/c1-19-14-10-20(9-11-2-3-11)7-5-12(14)13(18-19)8-17-15(21)4-6-16;3-2(4,5)1(6)7/h11H,2-5,7-10H2,1H3,(H,17,21);(H,6,7)
• InChIKey: KVRVZALLNLJKTO-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.39
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 118742749) is 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is Cn1nc(CNC(=O)CC#N)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.

What is the InChIKey of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is KVRVZALLNLJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.C2HF3O2/c1-19-14-10-20(9-11-2-3-11)7-5-12(14)13(18-19)8-17-15(21)4-6-16;3-2(4,5)1(6)7/h11H,2-5,7-10H2,1H3,(H,17,21);(H,6,7).

What are the key properties of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 401.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).