1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

C19H26F3N5O3 — CID 118742250

About 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118742250) has the molecular formula C19H26F3N5O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
• PubChem CID: 118742250
• Molecular Formula: C19H26F3N5O3
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.20
• IUPAC Name: 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
• SMILES: COCc1nn(CC2CC2)c2c1CN(Cc1cncn1C)CC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H25N5O.C2HF3O2/c1-20-12-18-7-14(20)9-21-6-5-17-15(10-21)16(11-23-2)19-22(17)8-13-3-4-13;3-2(4,5)1(6)7/h7,12-13H,3-6,8-11H2,1-2H3;(H,6,7)
• InChIKey: TWJOSCHBAICXES-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 85.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 118742250) is 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is COCc1nn(CC2CC2)c2c1CN(Cc1cncn1C)CC2.O=C(O)C(F)(F)F.

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

The InChIKey is TWJOSCHBAICXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.C2HF3O2/c1-20-12-18-7-14(20)9-21-6-5-17-15(10-21)16(11-23-2)19-22(17)8-13-3-4-13;3-2(4,5)1(6)7/h7,12-13H,3-6,8-11H2,1-2H3;(H,6,7).

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

1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 429.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).