5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid

C18H22ClN5O2 — CID 72867799

IUPAC5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid
SMILESCCN1CCc2[nH]cnc2C12CCN(c1ncc(C(=O)O)cc1Cl)CC2
InChIInChI=1S/C18H22ClN5O2/c1-2-24-6-3-14-15(22-11-21-14)18(24)4-7-23(8-5-18)16-13(19)9-12(10-20-16)17(25)26/h9-11H,2-8H2,1H3,(H,21,22)(H,25,26)
InChIKeyHENRNJZELLEIIB-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.53
Rot. Bonds3

About 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid

5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid (PubChem CID 72867799) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid
PubChem CID72867799
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid
SMILESCCN1CCc2[nH]cnc2C12CCN(c1ncc(C(=O)O)cc1Cl)CC2
InChIInChI=1S/C18H22ClN5O2/c1-2-24-6-3-14-15(22-11-21-14)18(24)4-7-23(8-5-18)16-13(19)9-12(10-20-16)17(25)26/h9-11H,2-8H2,1H3,(H,21,22)(H,25,26)
InChIKeyHENRNJZELLEIIB-UHFFFAOYSA-N
XLogP2.53
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid (CID 72867799) is 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid is CCN1CCc2[nH]cnc2C12CCN(c1ncc(C(=O)O)cc1Cl)CC2.
What is the InChIKey of 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
The InChIKey is HENRNJZELLEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-2-24-6-3-14-15(22-11-21-14)18(24)4-7-23(8-5-18)16-13(19)9-12(10-20-16)17(25)26/h9-11H,2-8H2,1H3,(H,21,22)(H,25,26).
What are the key properties of 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid has a molecular weight of 375.86 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 72867799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).