(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol

C24H33N3O — CID 157025914

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(N3CCCC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H33N3O/c1-18(2)19-7-9-20(10-8-19)24(28,23(3)16-26(4)17-23)21-13-22(15-25-14-21)27-11-5-6-12-27/h7-10,13-15,18,28H,5-6,11-12,16-17H2,1-4H3/t24-/m0/s1
InChIKeyJOGLPHNKVFJKIK-DEOSSOPVSA-N
MW379.55 g/mol
LogP3.99
Rot. Bonds5

About (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol (PubChem CID 157025914) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
PubChem CID157025914
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(N3CCCC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H33N3O/c1-18(2)19-7-9-20(10-8-19)24(28,23(3)16-26(4)17-23)21-13-22(15-25-14-21)27-11-5-6-12-27/h7-10,13-15,18,28H,5-6,11-12,16-17H2,1-4H3/t24-/m0/s1
InChIKeyJOGLPHNKVFJKIK-DEOSSOPVSA-N
XLogP3.99
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol (CID 157025914) is (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(N3CCCC3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The InChIKey is JOGLPHNKVFJKIK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N3O/c1-18(2)19-7-9-20(10-8-19)24(28,23(3)16-26(4)17-23)21-13-22(15-25-14-21)27-11-5-6-12-27/h7-10,13-15,18,28H,5-6,11-12,16-17H2,1-4H3/t24-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol has a molecular weight of 379.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 157025914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).