3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid

C18H26N4O4 — CID 74507818

IUPAC3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2CC1C(=O)N1CCCC1
InChIInChI=1S/C18H26N4O4/c1-18(2,9-16(24)25)8-15(23)22-10-13-12(19-11-20-13)7-14(22)17(26)21-5-3-4-6-21/h11,14H,3-10H2,1-2H3,(H,19,20)(H,24,25)
InChIKeyUALUUBFYUZTRPQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.18
Rot. Bonds5

About 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid

3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid (PubChem CID 74507818) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
PubChem CID74507818
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2CC1C(=O)N1CCCC1
InChIInChI=1S/C18H26N4O4/c1-18(2,9-16(24)25)8-15(23)22-10-13-12(19-11-20-13)7-14(22)17(26)21-5-3-4-6-21/h11,14H,3-10H2,1-2H3,(H,19,20)(H,24,25)
InChIKeyUALUUBFYUZTRPQ-UHFFFAOYSA-N
XLogP1.18
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid (CID 74507818) is 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid is CC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2CC1C(=O)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid?
The InChIKey is UALUUBFYUZTRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-18(2,9-16(24)25)8-15(23)22-10-13-12(19-11-20-13)7-14(22)17(26)21-5-3-4-6-21/h11,14H,3-10H2,1-2H3,(H,19,20)(H,24,25).
What are the key properties of 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid?
3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid has a molecular weight of 362.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid is sourced from PubChem (CID 74507818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).