(1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C21H26N4O2 — CID 129329582

About (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129329582) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129329582
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cccn1C1CC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C21H26N4O2/c26-21(18-5-4-13-25(18)16-7-8-16)24-14-9-17(15-24)27-19-6-3-10-22-20(19)23-11-1-2-12-23/h3-6,10,13,16-17H,1-2,7-9,11-12,14-15H2/t17-/m0/s1
• InChIKey: FWULIPJOIWYCAN-KRWDZBQOSA-N
• XLogP: 3.11
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129329582) is (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is O=C(c1cccn1C1CC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

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

The InChIKey is FWULIPJOIWYCAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(18-5-4-13-25(18)16-7-8-16)24-14-9-17(15-24)27-19-6-3-10-22-20(19)23-11-1-2-12-23/h3-6,10,13,16-17H,1-2,7-9,11-12,14-15H2/t17-/m0/s1.

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

(1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129329582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).