1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C17H25N3O6 — CID 118270081

IUPAC1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2ncn(C(=O)OC(C)(C)C)c2CC1C(=O)O
InChIInChI=1S/C17H25N3O6/c1-16(2,3)25-14(23)19-8-10-11(7-12(19)13(21)22)20(9-18-10)15(24)26-17(4,5)6/h9,12H,7-8H2,1-6H3,(H,21,22)
InChIKeyGQFSULIVKKDHQA-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.41
Rot. Bonds1

About 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 118270081) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID118270081
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2ncn(C(=O)OC(C)(C)C)c2CC1C(=O)O
InChIInChI=1S/C17H25N3O6/c1-16(2,3)25-14(23)19-8-10-11(7-12(19)13(21)22)20(9-18-10)15(24)26-17(4,5)6/h9,12H,7-8H2,1-6H3,(H,21,22)
InChIKeyGQFSULIVKKDHQA-UHFFFAOYSA-N
XLogP2.41
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[[(6S)-3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carbonyl]amino]butanedioic acid
CID 141307045
(6S)-2-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 124745636
N,N-diethylethanamine;(2S)-4-methoxyimino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158370583
ditert-butyl (6S)-6-[(3aS,8aR)-6-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-1,5-dicarboxylate
CID 118271180
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 58902236
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
4-methoxyimino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 178063753
4-[(4-methylphenyl)methylidene]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171617348
(3S)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 46900441
(2S)-4-[(4-methylphenyl)methylidene]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166139554

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 118270081) is 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)(C)OC(=O)N1Cc2ncn(C(=O)OC(C)(C)C)c2CC1C(=O)O.
What is the InChIKey of 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GQFSULIVKKDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-16(2,3)25-14(23)19-8-10-11(7-12(19)13(21)22)20(9-18-10)15(24)26-17(4,5)6/h9,12H,7-8H2,1-6H3,(H,21,22).
What are the key properties of 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 367.40 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 118270081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).