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

C18H21ClN4O2 — CID 96572737

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

5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 96572737) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 96572737
• Molecular Formula: C18H21ClN4O2
• Molecular Weight: 360.85 g/mol
• Exact Mass: 360.14
• IUPAC Name: 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cnc(N2CCC[C@H](c3nccn3CC3CC3)C2)c(Cl)c1
• InChI: InChI=1S/C18H21ClN4O2/c19-15-8-14(18(24)25)9-21-17(15)22-6-1-2-13(11-22)16-20-5-7-23(16)10-12-3-4-12/h5,7-9,12-13H,1-4,6,10-11H2,(H,24,25)/t13-/m0/s1
• InChIKey: UJWGCRZQQMJAJF-ZDUSSCGKSA-N
• XLogP: 3.42
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.85
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 96572737) is 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCC[C@H](c3nccn3CC3CC3)C2)c(Cl)c1.

What is the InChIKey of 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is UJWGCRZQQMJAJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-15-8-14(18(24)25)9-21-17(15)22-6-1-2-13(11-22)16-20-5-7-23(16)10-12-3-4-12/h5,7-9,12-13H,1-4,6,10-11H2,(H,24,25)/t13-/m0/s1.

What are the key properties of 5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid?

5-chloro-6-[(3S)-3-[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-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 96572737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).