1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)

C23H26F6N4O6 — CID 118746756

About 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)

1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746756) has the molecular formula C23H26F6N4O6 and a molecular weight of 568.47 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746756
• Molecular Formula: C23H26F6N4O6
• Molecular Weight: 568.47 g/mol
• Exact Mass: 568.18
• IUPAC Name: 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1ncc2c1CN(C(=O)Cc1ccccn1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H24N4O2.2C2HF3O2/c1-22-18-11-23(19(24)8-16-4-2-3-7-20-16)10-15(17(18)9-21-22)13-25-12-14-5-6-14;2*3-2(4,5)1(6)7/h2-4,7,9,14-15H,5-6,8,10-13H2,1H3;2*(H,6,7)
• InChIKey: WZWQTNTWZCTACI-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 134.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.47
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) (CID 118746756) is 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) is Cn1ncc2c1CN(C(=O)Cc1ccccn1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is WZWQTNTWZCTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2C2HF3O2/c1-22-18-11-23(19(24)8-16-4-2-3-7-20-16)10-15(17(18)9-21-22)13-25-12-14-5-6-14;2*3-2(4,5)1(6)7/h2-4,7,9,14-15H,5-6,8,10-13H2,1H3;2*(H,6,7).

What are the key properties of 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)?

1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 568.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).