1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid

C16H18F3N3O4S — CID 155865699

IUPAC1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2Cc3ncn(C)c3C(C(=O)O)C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N3O2S.C2HF3O2/c1-9-3-4-10(20-9)5-17-6-11(14(18)19)13-12(7-17)15-8-16(13)2;3-2(4,5)1(6)7/h3-4,8,11H,5-7H2,1-2H3,(H,18,19);(H,6,7)
InChIKeyAXWBEYJDGHHWQE-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid

1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 155865699) has the molecular formula C16H18F3N3O4S and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID155865699
Molecular FormulaC16H18F3N3O4S
Molecular Weight405.40 g/mol
Exact Mass405.10
IUPAC Name1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2Cc3ncn(C)c3C(C(=O)O)C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N3O2S.C2HF3O2/c1-9-3-4-10(20-9)5-17-6-11(14(18)19)13-12(7-17)15-8-16(13)2;3-2(4,5)1(6)7/h3-4,8,11H,5-7H2,1-2H3,(H,18,19);(H,6,7)
InChIKeyAXWBEYJDGHHWQE-UHFFFAOYSA-N
XLogP2.61
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743932
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118744309
N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746016
(3,3-difluoroazetidin-1-yl)-[(7R)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 129555936
(3,3-difluoroazetidin-1-yl)-[(7S)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 129555937
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 131677331
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 133140119
5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134070086
5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134070087
N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155828114
1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828356
1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155830634

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid (CID 155865699) is 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid is Cc1ccc(CN2Cc3ncn(C)c3C(C(=O)O)C2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is AXWBEYJDGHHWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.C2HF3O2/c1-9-3-4-10(20-9)5-17-6-11(14(18)19)13-12(7-17)15-8-16(13)2;3-2(4,5)1(6)7/h3-4,8,11H,5-7H2,1-2H3,(H,18,19);(H,6,7).
What are the key properties of 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid?
1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 405.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).