(1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C23H29N5O — CID 97275072

About (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97275072) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97275072
• Molecular Formula: C23H29N5O
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.24
• IUPAC Name: (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1
• InChI: InChI=1S/C23H29N5O/c1-23(2,3)28-13-9-19(16-28)22(29)27-12-6-7-18(15-27)21-25-11-14-26(21)17-20-8-4-5-10-24-20/h4-5,8-11,13-14,16,18H,6-7,12,15,17H2,1-3H3/t18-/m1/s1
• InChIKey: MJMIQXPLZJXQLR-GOSISDBHSA-N
• XLogP: 3.90
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97275072) is (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1.

What is the InChIKey of (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is MJMIQXPLZJXQLR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N5O/c1-23(2,3)28-13-9-19(16-28)22(29)27-12-6-7-18(15-27)21-25-11-14-26(21)17-20-8-4-5-10-24-20/h4-5,8-11,13-14,16,18H,6-7,12,15,17H2,1-3H3/t18-/m1/s1.

What are the key properties of (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97275072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).