4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid

C17H24N4O4 — CID 26745224

IUPAC4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N4O4/c22-15(6-7-16(23)24)21-9-13-12(18-10-19-13)8-14(21)17(25)20-11-4-2-1-3-5-11/h10-11,14H,1-9H2,(H,18,19)(H,20,25)(H,23,24)/t14-/m0/s1
InChIKeyHIOUNQWAZRWAJA-AWEZNQCLSA-N
MW348.40 g/mol
LogP0.98
Rot. Bonds5

About 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid

4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid (PubChem CID 26745224) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
PubChem CID26745224
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N4O4/c22-15(6-7-16(23)24)21-9-13-12(18-10-19-13)8-14(21)17(25)20-11-4-2-1-3-5-11/h10-11,14H,1-9H2,(H,18,19)(H,20,25)(H,23,24)/t14-/m0/s1
InChIKeyHIOUNQWAZRWAJA-AWEZNQCLSA-N
XLogP0.98
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid (CID 26745224) is 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1.
What is the InChIKey of 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid?
The InChIKey is HIOUNQWAZRWAJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-15(6-7-16(23)24)21-9-13-12(18-10-19-13)8-14(21)17(25)20-11-4-2-1-3-5-11/h10-11,14H,1-9H2,(H,18,19)(H,20,25)(H,23,24)/t14-/m0/s1.
What are the key properties of 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid?
4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid has a molecular weight of 348.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid is sourced from PubChem (CID 26745224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).