(4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one

C25H35N3O3 — CID 160914417

About (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one

(4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 160914417) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
• PubChem CID: 160914417
• Molecular Formula: C25H35N3O3
• Molecular Weight: 425.57 g/mol
• Exact Mass: 425.27
• IUPAC Name: (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
• SMILES: CCCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c1OC
• InChI: InChI=1S/C25H35N3O3/c1-6-14-27(4)25-24(30-5)23(11-13-26-25)28-15-12-22(17-28)31-21-9-7-20(8-10-21)18(2)16-19(3)29/h7-11,13,18,22H,6,12,14-17H2,1-5H3/t18-,22-/m1/s1
• InChIKey: SRFHLTGNFJTKHB-XMSQKQJNSA-N
• XLogP: 4.68
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.57
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?

The IUPAC name of (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one (CID 160914417) is (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one.

What is the SMILES notation for (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?

The canonical SMILES for (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one is CCCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c1OC.

What is the InChIKey of (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?

The InChIKey is SRFHLTGNFJTKHB-XMSQKQJNSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-6-14-27(4)25-24(30-5)23(11-13-26-25)28-15-12-22(17-28)31-21-9-7-20(8-10-21)18(2)16-19(3)29/h7-11,13,18,22H,6,12,14-17H2,1-5H3/t18-,22-/m1/s1.

What are the key properties of (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?

(4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 425.57 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 160914417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).