5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H26F3N5O4 — CID 155068465

IUPAC5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N(C)CC4(CO)CC4)c3)ccn2)[nH]c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O2.C2HF3O2/c1-14-15(2)26-20(25-14)19-9-16(4-7-24-19)17-8-18(11-23-10-17)21(29)27(3)12-22(13-28)5-6-22;3-2(4,5)1(6)7/h4,7-11,28H,5-6,12-13H2,1-3H3,(H,25,26);(H,6,7)
InChIKeyBUXAASWHPCGCCW-UHFFFAOYSA-N
MW505.50 g/mol
LogP3.63
Rot. Bonds6

About 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155068465) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155068465
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N(C)CC4(CO)CC4)c3)ccn2)[nH]c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O2.C2HF3O2/c1-14-15(2)26-20(25-14)19-9-16(4-7-24-19)17-8-18(11-23-10-17)21(29)27(3)12-22(13-28)5-6-22;3-2(4,5)1(6)7/h4,7-11,28H,5-6,12-13H2,1-3H3,(H,25,26);(H,6,7)
InChIKeyBUXAASWHPCGCCW-UHFFFAOYSA-N
XLogP3.63
TPSA132.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155068465) is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(-c2cc(-c3cncc(C(=O)N(C)CC4(CO)CC4)c3)ccn2)[nH]c1C.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BUXAASWHPCGCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C2HF3O2/c1-14-15(2)26-20(25-14)19-9-16(4-7-24-19)17-8-18(11-23-10-17)21(29)27(3)12-22(13-28)5-6-22;3-2(4,5)1(6)7/h4,7-11,28H,5-6,12-13H2,1-3H3,(H,25,26);(H,6,7).
What are the key properties of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 505.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155068465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).