(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

C17H25F3N4O4 — CID 118742694

IUPAC(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
SMILESCC(C)N1CCc2ncn(C)c2C1C(=O)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2.C2HF3O2/c1-11(2)19-5-4-12-13(17(3)10-16-12)14(19)15(20)18-6-8-21-9-7-18;3-2(4,5)1(6)7/h10-11,14H,4-9H2,1-3H3;(H,6,7)
InChIKeyDIDDBQNCBMIJTH-UHFFFAOYSA-N
MW406.41 g/mol
LogP1.22
Rot. Bonds2

About (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

(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 (PubChem CID 118742694) has the molecular formula C17H25F3N4O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118742694
Molecular FormulaC17H25F3N4O4
Molecular Weight406.41 g/mol
Exact Mass406.18
IUPAC Name(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
SMILESCC(C)N1CCc2ncn(C)c2C1C(=O)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2.C2HF3O2/c1-11(2)19-5-4-12-13(17(3)10-16-12)14(19)15(20)18-6-8-21-9-7-18;3-2(4,5)1(6)7/h10-11,14H,4-9H2,1-3H3;(H,6,7)
InChIKeyDIDDBQNCBMIJTH-UHFFFAOYSA-N
XLogP1.22
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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
(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-morpholin-4-ylmethanone
CID 118742695
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone
CID 118742954
2-(3-ethyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-morpholino-1-ethanone
CID 53194876
(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
[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
[5-(cyclopropylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742955
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
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742972
(1-Fluorocyclopropyl)-[5-(2-methoxyethyl)-3,5,9,12-tetrazatricyclo[7.4.0.02,6]trideca-2(6),3-dien-12-yl]methanone
CID 131688199
(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131696155
(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131696163

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1CCc2ncn(C)c2C1C(=O)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (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?
The InChIKey is DIDDBQNCBMIJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2HF3O2/c1-11(2)19-5-4-12-13(17(3)10-16-12)14(19)15(20)18-6-8-21-9-7-18;3-2(4,5)1(6)7/h10-11,14H,4-9H2,1-3H3;(H,6,7).
What are the key properties of (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?
(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 has a molecular weight of 406.41 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118742694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).