3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C22H29F3N4O3 — CID 155856391

IUPAC3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(NC(=O)C2c3c(ncn3C)CCN2C(C)C)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N4O.C2HF3O2/c1-13(2)15-6-8-16(9-7-15)22-20(25)19-18-17(21-12-23(18)5)10-11-24(19)14(3)4;3-2(4,5)1(6)7/h6-9,12-14,19H,10-11H2,1-5H3,(H,22,25);(H,6,7)
InChIKeyJVNCMCFJTBOVNB-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.12
Rot. Bonds4

About 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155856391) has the molecular formula C22H29F3N4O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155856391
Molecular FormulaC22H29F3N4O3
Molecular Weight454.49 g/mol
Exact Mass454.22
IUPAC Name3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(NC(=O)C2c3c(ncn3C)CCN2C(C)C)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N4O.C2HF3O2/c1-13(2)15-6-8-16(9-7-15)22-20(25)19-18-17(21-12-23(18)5)10-11-24(19)14(3)4;3-2(4,5)1(6)7/h6-9,12-14,19H,10-11H2,1-5H3,(H,22,25);(H,6,7)
InChIKeyJVNCMCFJTBOVNB-UHFFFAOYSA-N
XLogP4.12
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155856391) is 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(NC(=O)C2c3c(ncn3C)CCN2C(C)C)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JVNCMCFJTBOVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.C2HF3O2/c1-13(2)15-6-8-16(9-7-15)22-20(25)19-18-17(21-12-23(18)5)10-11-24(19)14(3)4;3-2(4,5)1(6)7/h6-9,12-14,19H,10-11H2,1-5H3,(H,22,25);(H,6,7).
What are the key properties of 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 454.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155856391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).