[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid

C20H24F3N5O4 — CID 118742679

About [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid

[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742679) has the molecular formula C20H24F3N5O4 and a molecular weight of 455.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 118742679
• Molecular Formula: C20H24F3N5O4
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.18
• IUPAC Name: [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: CCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1ccncn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H23N5O2.C2HF3O2/c1-2-25-11-16-17-14(9-21-23(17)10-13-3-4-13)6-8-22(16)18(24)15-5-7-19-12-20-15;3-2(4,5)1(6)7/h5,7,9,12-13,16H,2-4,6,8,10-11H2,1H3;(H,6,7)
• InChIKey: SAQQJWVWWOIWAJ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 110.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 118742679) is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid is CCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1ccncn1.O=C(O)C(F)(F)F.

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

The InChIKey is SAQQJWVWWOIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.C2HF3O2/c1-2-25-11-16-17-14(9-21-23(17)10-13-3-4-13)6-8-22(16)18(24)15-5-7-19-12-20-15;3-2(4,5)1(6)7/h5,7,9,12-13,16H,2-4,6,8,10-11H2,1H3;(H,6,7).

What are the key properties of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid?

[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 455.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).