[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid

C21H26F3N5O4 — CID 155859354

IUPAC[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(COCC1CCCC1)CN(C(=O)c1ccnnc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N5O2.C2HF3O2/c1-23-13-20-17-10-24(19(25)15-6-7-21-22-8-15)9-16(18(17)23)12-26-11-14-4-2-3-5-14;3-2(4,5)1(6)7/h6-8,13-14,16H,2-5,9-12H2,1H3;(H,6,7)
InChIKeyIWKHEDRMJJFAPM-UHFFFAOYSA-N
MW469.46 g/mol
LogP2.79
Rot. Bonds5

About [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid

[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155859354) has the molecular formula C21H26F3N5O4 and a molecular weight of 469.46 g/mol. Its IUPAC name is [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155859354
Molecular FormulaC21H26F3N5O4
Molecular Weight469.46 g/mol
Exact Mass469.19
IUPAC Name[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(COCC1CCCC1)CN(C(=O)c1ccnnc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N5O2.C2HF3O2/c1-23-13-20-17-10-24(19(25)15-6-7-21-22-8-15)9-16(18(17)23)12-26-11-14-4-2-3-5-14;3-2(4,5)1(6)7/h6-8,13-14,16H,2-5,9-12H2,1H3;(H,6,7)
InChIKeyIWKHEDRMJJFAPM-UHFFFAOYSA-N
XLogP2.79
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824182
cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862257
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
5-cyclobutyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824149
(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
5-benzyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155863122
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155844574
5-(furan-3-ylmethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828384
[(5R)-5-(cyclopentylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 124794206
(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131663093
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869043

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155859354) is [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(COCC1CCCC1)CN(C(=O)c1ccnnc1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IWKHEDRMJJFAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.C2HF3O2/c1-23-13-20-17-10-24(19(25)15-6-7-21-22-8-15)9-16(18(17)23)12-26-11-14-4-2-3-5-14;3-2(4,5)1(6)7/h6-8,13-14,16H,2-5,9-12H2,1H3;(H,6,7).
What are the key properties of [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 469.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).