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

C20H25F3N4O4 — CID 118743950

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

[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118743950) has the molecular formula C20H25F3N4O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 118743950
• Molecular Formula: C20H25F3N4O4
• Molecular Weight: 442.44 g/mol
• Exact Mass: 442.18
• IUPAC Name: [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: COCC1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H24N4O2.C2HF3O2/c1-20-7-3-4-16(20)18(23)21-10-14(12-24-2)15-8-19-22(17(15)11-21)9-13-5-6-13;3-2(4,5)1(6)7/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3;(H,6,7)
• InChIKey: NWDMJPKZIBSBGT-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 89.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.44
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 118743950) is [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is COCC1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1.O=C(O)C(F)(F)F.

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

The InChIKey is NWDMJPKZIBSBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.C2HF3O2/c1-20-7-3-4-16(20)18(23)21-10-14(12-24-2)15-8-19-22(17(15)11-21)9-13-5-6-13;3-2(4,5)1(6)7/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3;(H,6,7).

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

[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 442.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).