2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine

C22H27N5 — CID 97131130

IUPAC2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
SMILESCC(C)c1cccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1
InChIInChI=1S/C22H27N5/c1-17(2)20-6-3-7-21(25-20)26-13-4-5-19(16-26)22-24-12-14-27(22)15-18-8-10-23-11-9-18/h3,6-12,14,17,19H,4-5,13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyOJOJNJMGTXAJMR-LJQANCHMSA-N
MW361.49 g/mol
LogP4.23
Rot. Bonds5

About 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine

2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine (PubChem CID 97131130) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
PubChem CID97131130
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
SMILESCC(C)c1cccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1
InChIInChI=1S/C22H27N5/c1-17(2)20-6-3-7-21(25-20)26-13-4-5-19(16-26)22-24-12-14-27(22)15-18-8-10-23-11-9-18/h3,6-12,14,17,19H,4-5,13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyOJOJNJMGTXAJMR-LJQANCHMSA-N
XLogP4.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97123365
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 97119602
N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72905200
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
6-methyl-4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97284997
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine (CID 97131130) is 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine is CC(C)c1cccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1.
What is the InChIKey of 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
The InChIKey is OJOJNJMGTXAJMR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5/c1-17(2)20-6-3-7-21(25-20)26-13-4-5-19(16-26)22-24-12-14-27(22)15-18-8-10-23-11-9-18/h3,6-12,14,17,19H,4-5,13,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine has a molecular weight of 361.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 97131130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).