5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid

C18H21ClN4O2 — CID 70768504

IUPAC5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(c3nccn3CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c19-15-9-14(18(24)25)10-21-17(15)22-6-3-13(4-7-22)16-20-5-8-23(16)11-12-1-2-12/h5,8-10,12-13H,1-4,6-7,11H2,(H,24,25)
InChIKeyMLDSVDCOLVISOE-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.42
Rot. Bonds5

About 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 70768504) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID70768504
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(c3nccn3CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c19-15-9-14(18(24)25)10-21-17(15)22-6-3-13(4-7-22)16-20-5-8-23(16)11-12-1-2-12/h5,8-10,12-13H,1-4,6-7,11H2,(H,24,25)
InChIKeyMLDSVDCOLVISOE-UHFFFAOYSA-N
XLogP3.42
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
US10273222, Example 85
CID 90407266
6-(1H-imidazol-1-yl)pyridine-3-carboxylic acid
CID 4602592
Imidazo(1,2-a)pyridine-6-carboxylic acid
CID 7075376
Imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 11715356
2-(1H-imidazol-1-yl)pyridine-3-carboxylic acid
CID 16793847
Imidazo[1,2-a]pyridine-6-carboxylic acid hydrochloride
CID 57432312
3-Iodoimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588464
6-Chloro-2-methylimidazo(1,2-a)pyridine-8-carboxylic acid
CID 83485964
5-Chloro-6-(4-(phenylcarbamoyl)piperazin-1-yl)nicotinic acid
CID 54581187
(1-Butylpiperidin-4-yl)methyl 6-chloroimidazo[1,2-a]pyridine-8-carboxylate
CID 44211745
2-{4-[(3-Chlorophenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid
CID 45423396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 70768504) is 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCC(c3nccn3CC3CC3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MLDSVDCOLVISOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-15-9-14(18(24)25)10-21-17(15)22-6-3-13(4-7-22)16-20-5-8-23(16)11-12-1-2-12/h5,8-10,12-13H,1-4,6-7,11H2,(H,24,25).
What are the key properties of 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 360.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 70768504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).