(3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine

C41H60N6O4 — CID 134601280

IUPAC(3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine
SMILESCC(C)(C)c1ccc(O[C@@H]2CCN(CCOC3OCCN(C4OCCN[C@H]4c4ccc(C(C)(C)C)nc4)C3c3ccc(C(C)(C)C)nc3)C2)cn1
InChIInChI=1S/C41H60N6O4/c1-39(2,3)32-13-10-28(24-43-32)35-37(48-21-17-42-35)47-20-23-50-38(36(47)29-11-14-33(44-25-29)40(4,5)6)49-22-19-46-18-16-31(27-46)51-30-12-15-34(45-26-30)41(7,8)9/h10-15,24-26,31,35-38,42H,16-23,27H2,1-9H3/t31-,35+,36?,37?,38?/m1/s1
InChIKeyYCTJBMAAXPXSEW-VJFNDYJASA-N
MW700.97 g/mol
LogP6.32
Rot. Bonds9

About (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine

(3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine (PubChem CID 134601280) has the molecular formula C41H60N6O4 and a molecular weight of 700.97 g/mol. Its IUPAC name is (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine.

Molecular Properties

Compound Name(3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine
PubChem CID134601280
Molecular FormulaC41H60N6O4
Molecular Weight700.97 g/mol
Exact Mass700.47
IUPAC Name(3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine
SMILESCC(C)(C)c1ccc(O[C@@H]2CCN(CCOC3OCCN(C4OCCN[C@H]4c4ccc(C(C)(C)C)nc4)C3c3ccc(C(C)(C)C)nc3)C2)cn1
InChIInChI=1S/C41H60N6O4/c1-39(2,3)32-13-10-28(24-43-32)35-37(48-21-17-42-35)47-20-23-50-38(36(47)29-11-14-33(44-25-29)40(4,5)6)49-22-19-46-18-16-31(27-46)51-30-12-15-34(45-26-30)41(7,8)9/h10-15,24-26,31,35-38,42H,16-23,27H2,1-9H3/t31-,35+,36?,37?,38?/m1/s1
InChIKeyYCTJBMAAXPXSEW-VJFNDYJASA-N
XLogP6.32
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine?
The IUPAC name of (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine (CID 134601280) is (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine.
What is the SMILES notation for (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine?
The canonical SMILES for (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine is CC(C)(C)c1ccc(O[C@@H]2CCN(CCOC3OCCN(C4OCCN[C@H]4c4ccc(C(C)(C)C)nc4)C3c3ccc(C(C)(C)C)nc3)C2)cn1.
What is the InChIKey of (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine?
The InChIKey is YCTJBMAAXPXSEW-VJFNDYJASA-N. The full InChI is InChI=1S/C41H60N6O4/c1-39(2,3)32-13-10-28(24-43-32)35-37(48-21-17-42-35)47-20-23-50-38(36(47)29-11-14-33(44-25-29)40(4,5)6)49-22-19-46-18-16-31(27-46)51-30-12-15-34(45-26-30)41(7,8)9/h10-15,24-26,31,35-38,42H,16-23,27H2,1-9H3/t31-,35+,36?,37?,38?/m1/s1.
What are the key properties of (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine?
(3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine has a molecular weight of 700.97 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-tert-butyl-3-pyridinyl)-4-[(3S)-3-(6-tert-butyl-3-pyridinyl)morpholin-2-yl]-2-[2-[(3R)-3-[(6-tert-butyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethoxy]morpholine is sourced from PubChem (CID 134601280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).