[1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C21H29F3N6O4 — CID 155850932

IUPAC[1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cc(CN2Cc3ncn(C)c3C(C(=O)N3CCOCC3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N6O2.C2HF3O2/c1-14(2)25-10-15(8-21-25)9-23-11-16(18-17(12-23)20-13-22(18)3)19(26)24-4-6-27-7-5-24;3-2(4,5)1(6)7/h8,10,13-14,16H,4-7,9,11-12H2,1-3H3;(H,6,7)
InChIKeyKALBMKXFEANEPZ-UHFFFAOYSA-N
MW486.50 g/mol
LogP1.79
Rot. Bonds4

About [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

[1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155850932) has the molecular formula C21H29F3N6O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155850932
Molecular FormulaC21H29F3N6O4
Molecular Weight486.50 g/mol
Exact Mass486.22
IUPAC Name[1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cc(CN2Cc3ncn(C)c3C(C(=O)N3CCOCC3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N6O2.C2HF3O2/c1-14(2)25-10-15(8-21-25)9-23-11-16(18-17(12-23)20-13-22(18)3)19(26)24-4-6-27-7-5-24;3-2(4,5)1(6)7/h8,10,13-14,16H,4-7,9,11-12H2,1-3H3;(H,6,7)
InChIKeyKALBMKXFEANEPZ-UHFFFAOYSA-N
XLogP1.79
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155850932) is [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is CC(C)n1cc(CN2Cc3ncn(C)c3C(C(=O)N3CCOCC3)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is KALBMKXFEANEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.C2HF3O2/c1-14(2)25-10-15(8-21-25)9-23-11-16(18-17(12-23)20-13-22(18)3)19(26)24-4-6-27-7-5-24;3-2(4,5)1(6)7/h8,10,13-14,16H,4-7,9,11-12H2,1-3H3;(H,6,7).
What are the key properties of [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 486.50 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).