1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid

C16H21F3N4O4 — CID 118742966

IUPAC1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCc2ncn(C)c2C1C(=O)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-10(19)18-8-5-11-12(16(2)9-15-11)13(18)14(20)17-6-3-4-7-17;3-2(4,5)1(6)7/h9,13H,3-8H2,1-2H3;(H,6,7)
InChIKeyIDBUTSBSBRHJKL-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.12
Rot. Bonds1

About 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid

1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742966) has the molecular formula C16H21F3N4O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118742966
Molecular FormulaC16H21F3N4O4
Molecular Weight390.36 g/mol
Exact Mass390.15
IUPAC Name1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCc2ncn(C)c2C1C(=O)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-10(19)18-8-5-11-12(16(2)9-15-11)13(18)14(20)17-6-3-4-7-17;3-2(4,5)1(6)7/h9,13H,3-8H2,1-2H3;(H,6,7)
InChIKeyIDBUTSBSBRHJKL-UHFFFAOYSA-N
XLogP1.12
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 118738878
3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738970
3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738971
(3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 118739089
[5-(cyclopropylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 118742956
1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 118742967
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 118742973
(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742570
(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742575
(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742694
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742953

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118742966) is 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCc2ncn(C)c2C1C(=O)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IDBUTSBSBRHJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.C2HF3O2/c1-10(19)18-8-5-11-12(16(2)9-15-11)13(18)14(20)17-6-3-4-7-17;3-2(4,5)1(6)7/h9,13H,3-8H2,1-2H3;(H,6,7).
What are the key properties of 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 390.36 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).