(2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C19H24N4O2 — CID 129475695

About (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129475695) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129475695
• Molecular Formula: C19H24N4O2
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.19
• IUPAC Name: (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: Cc1[nH]ccc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C19H24N4O2/c1-14-16(6-9-20-14)19(24)23-12-7-15(13-23)25-17-5-4-8-21-18(17)22-10-2-3-11-22/h4-6,8-9,15,20H,2-3,7,10-13H2,1H3/t15-/m0/s1
• InChIKey: PLWVNPGNZRTNPO-HNNXBMFYSA-N
• XLogP: 2.61
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129475695) is (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is Cc1[nH]ccc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is PLWVNPGNZRTNPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-16(6-9-20-14)19(24)23-12-7-15(13-23)25-17-5-4-8-21-18(17)22-10-2-3-11-22/h4-6,8-9,15,20H,2-3,7,10-13H2,1H3/t15-/m0/s1.

What are the key properties of (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129475695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).