(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine

C25H35N3O3 — CID 130344741

IUPAC(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
SMILESCOc1cccc(C2CCCN2c2cc(N3CCOC[C@H]3C)cc(OC(C)(C)C)n2)c1
InChIInChI=1S/C25H35N3O3/c1-18-17-30-13-12-27(18)20-15-23(26-24(16-20)31-25(2,3)4)28-11-7-10-22(28)19-8-6-9-21(14-19)29-5/h6,8-9,14-16,18,22H,7,10-13,17H2,1-5H3/t18-,22?/m1/s1
InChIKeyXQEQRABSGAPKAQ-ZZWBGTBQSA-N
MW425.57 g/mol
LogP4.83
Rot. Bonds5

About (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine

(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine (PubChem CID 130344741) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
PubChem CID130344741
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
SMILESCOc1cccc(C2CCCN2c2cc(N3CCOC[C@H]3C)cc(OC(C)(C)C)n2)c1
InChIInChI=1S/C25H35N3O3/c1-18-17-30-13-12-27(18)20-15-23(26-24(16-20)31-25(2,3)4)28-11-7-10-22(28)19-8-6-9-21(14-19)29-5/h6,8-9,14-16,18,22H,7,10-13,17H2,1-5H3/t18-,22?/m1/s1
InChIKeyXQEQRABSGAPKAQ-ZZWBGTBQSA-N
XLogP4.83
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine (CID 130344741) is (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine is COc1cccc(C2CCCN2c2cc(N3CCOC[C@H]3C)cc(OC(C)(C)C)n2)c1.
What is the InChIKey of (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
The InChIKey is XQEQRABSGAPKAQ-ZZWBGTBQSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18-17-30-13-12-27(18)20-15-23(26-24(16-20)31-25(2,3)4)28-11-7-10-22(28)19-8-6-9-21(14-19)29-5/h6,8-9,14-16,18,22H,7,10-13,17H2,1-5H3/t18-,22?/m1/s1.
What are the key properties of (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine has a molecular weight of 425.57 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 130344741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).