(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

C19H29F3N4O3 — CID 118742575

IUPAC(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
SMILESCC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O.C2HF3O2/c1-12(2)21-15-8-10-19(4)11-14(15)18-16(21)17(22)20-9-6-5-7-13(20)3;3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;(H,6,7)
InChIKeyQQVBWHWFAWWAOO-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.10
Rot. Bonds2

About (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

(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 (PubChem CID 118742575) has the molecular formula C19H29F3N4O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118742575
Molecular FormulaC19H29F3N4O3
Molecular Weight418.46 g/mol
Exact Mass418.22
IUPAC Name(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
SMILESCC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O.C2HF3O2/c1-12(2)21-15-8-10-19(4)11-14(15)18-16(21)17(22)20-9-6-5-7-13(20)3;3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;(H,6,7)
InChIKeyQQVBWHWFAWWAOO-UHFFFAOYSA-N
XLogP3.10
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 53609869
(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-pyrrolidin-1-ylmethanone
CID 97524849
cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118738892
(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone
CID 118742576
(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
(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
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
tert-butyl 3-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69158540
1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
CID 69203559
tert-butyl 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69516381
1-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
CID 69517469
tert-butyl 1-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69517637

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of (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?
The InChIKey is QQVBWHWFAWWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.C2HF3O2/c1-12(2)21-15-8-10-19(4)11-14(15)18-16(21)17(22)20-9-6-5-7-13(20)3;3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;(H,6,7).
What are the key properties of (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?
(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 has a molecular weight of 418.46 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118742575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).