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

C19H29F3N4O4 — CID 155834192

IUPAC1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1CN(CC2CCOCC2)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O2.C2HF3O2/c1-12(2)19-17(22)14-9-21(8-13-4-6-23-7-5-13)10-15-16(14)20(3)11-18-15;3-2(4,5)1(6)7/h11-14H,4-10H2,1-3H3,(H,19,22);(H,6,7)
InChIKeyMMBCCEVUSODXRN-UHFFFAOYSA-N
MW434.46 g/mol
LogP1.90
Rot. Bonds4

About 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155834192) has the molecular formula C19H29F3N4O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155834192
Molecular FormulaC19H29F3N4O4
Molecular Weight434.46 g/mol
Exact Mass434.21
IUPAC Name1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1CN(CC2CCOCC2)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O2.C2HF3O2/c1-12(2)19-17(22)14-9-21(8-13-4-6-23-7-5-13)10-15-16(14)20(3)11-18-15;3-2(4,5)1(6)7/h11-14H,4-10H2,1-3H3,(H,19,22);(H,6,7)
InChIKeyMMBCCEVUSODXRN-UHFFFAOYSA-N
XLogP1.90
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739100
(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
[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
ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
CID 118742997
cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745004
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
(3,3-difluoroazetidin-1-yl)-[(7R)-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124239910
(3,3-difluoroazetidin-1-yl)-[(7S)-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124239911
ethyl (7R)-1-ethyl-5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 129555776
ethyl (7S)-1-ethyl-5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 129555777
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 131649061
ethyl 1-ethyl-5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 131679923

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155834192) is 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)C1CN(CC2CCOCC2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MMBCCEVUSODXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.C2HF3O2/c1-12(2)19-17(22)14-9-21(8-13-4-6-23-7-5-13)10-15-16(14)20(3)11-18-15;3-2(4,5)1(6)7/h11-14H,4-10H2,1-3H3,(H,19,22);(H,6,7).
What are the key properties of 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 434.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).