[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid

C19H26F3N5O4 — CID 155857778

IUPAC[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)CCOCc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N5O2.C2HF3O2/c1-20(2)9-10-24-12-15-13-11-22(8-6-16(13)21(3)19-15)17(23)14-5-4-7-18-14;3-2(4,5)1(6)7/h4-5,7,18H,6,8-12H2,1-3H3;(H,6,7)
InChIKeyGUKOGGRULCXGMN-UHFFFAOYSA-N
MW445.44 g/mol
LogP1.66
Rot. Bonds6

About [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid

[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155857778) has the molecular formula C19H26F3N5O4 and a molecular weight of 445.44 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155857778
Molecular FormulaC19H26F3N5O4
Molecular Weight445.44 g/mol
Exact Mass445.19
IUPAC Name[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)CCOCc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N5O2.C2HF3O2/c1-20(2)9-10-24-12-15-13-11-22(8-6-16(13)21(3)19-15)17(23)14-5-4-7-18-14;3-2(4,5)1(6)7/h4-5,7,18H,6,8-12H2,1-3H3;(H,6,7)
InChIKeyGUKOGGRULCXGMN-UHFFFAOYSA-N
XLogP1.66
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155854787
[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
CID 97405833
[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-fluorophenyl)methanone
CID 50832791
1-[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(1H-pyrrol-2-yl)propan-1-one;oxalic acid
CID 155870492
N-(4-fluorophenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018232
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 46390314
1-methyl-3-(prop-2-enoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 155857263
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 118742264
1,3-benzodioxol-5-yl-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832312
(4-bromophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832610
ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26144416
2-(dimethylamino)-7-(1H-pyrrole-2-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155843314

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155857778) is [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is CN(C)CCOCc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is GUKOGGRULCXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.C2HF3O2/c1-20(2)9-10-24-12-15-13-11-22(8-6-16(13)21(3)19-15)17(23)14-5-4-7-18-14;3-2(4,5)1(6)7/h4-5,7,18H,6,8-12H2,1-3H3;(H,6,7).
What are the key properties of [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 445.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).