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

C23H26F6N4O6 — CID 118746763

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

1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746763) has the molecular formula C23H26F6N4O6 and a molecular weight of 568.47 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746763
• Molecular Formula: C23H26F6N4O6
• Molecular Weight: 568.47 g/mol
• Exact Mass: 568.18
• IUPAC Name: 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H24N4O2.2C2HF3O2/c1-25-13-15-11-22(19(24)8-16-4-2-3-7-20-16)12-18-17(15)9-21-23(18)10-14-5-6-14;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: PZMUVFMBFWTLOC-UHFFFAOYSA-N
• XLogP: 3.27
• 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	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) (CID 118746763) is 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid) is COCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is PZMUVFMBFWTLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2C2HF3O2/c1-25-13-15-11-22(19(24)8-16-4-2-3-7-20-16)12-18-17(15)9-21-23(18)10-14-5-6-14;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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)?

1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-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 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-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 118746763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).