[[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol

C25H27Cl2N3O — CID 89360463

IUPAC[[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol
SMILESOC(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(Cl)c1)c1ccc(Cl)cn1
InChIInChI=1S/C25H27Cl2N3O/c26-20-10-6-9-19(15-20)25(16-18-7-2-1-3-8-18,23-14-13-21(27)17-28-23)30-24(31)29-22-11-4-5-12-22/h1-3,6-10,13-15,17,22,24,29-31H,4-5,11-12,16H2
InChIKeyIPLZVYNCUTWQCP-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.27
Rot. Bonds8

About [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol

[[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol (PubChem CID 89360463) has the molecular formula C25H27Cl2N3O and a molecular weight of 456.42 g/mol. Its IUPAC name is [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol.

Molecular Properties

Compound Name[[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol
PubChem CID89360463
Molecular FormulaC25H27Cl2N3O
Molecular Weight456.42 g/mol
Exact Mass455.15
IUPAC Name[[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol
SMILESOC(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(Cl)c1)c1ccc(Cl)cn1
InChIInChI=1S/C25H27Cl2N3O/c26-20-10-6-9-19(15-20)25(16-18-7-2-1-3-8-18,23-14-13-21(27)17-28-23)30-24(31)29-22-11-4-5-12-22/h1-3,6-10,13-15,17,22,24,29-31H,4-5,11-12,16H2
InChIKeyIPLZVYNCUTWQCP-UHFFFAOYSA-N
XLogP5.27
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-(difluoromethoxy)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 58921131
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920821
1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
CID 143474285
1-[1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934315
1-[[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]ethanol
CID 143474316
1-[1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934458
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]azepane-1-carboxamide
CID 58920207
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 58921375
1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea
CID 58921524
1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920749
1-[2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 73317529
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 66934497

Frequently Asked Questions

What is the IUPAC name of [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol?
The IUPAC name of [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol (CID 89360463) is [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol.
What is the SMILES notation for [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol?
The canonical SMILES for [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol is OC(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(Cl)c1)c1ccc(Cl)cn1.
What is the InChIKey of [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol?
The InChIKey is IPLZVYNCUTWQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O/c26-20-10-6-9-19(15-20)25(16-18-7-2-1-3-8-18,23-14-13-21(27)17-28-23)30-24(31)29-22-11-4-5-12-22/h1-3,6-10,13-15,17,22,24,29-31H,4-5,11-12,16H2.
What are the key properties of [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol?
[[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol has a molecular weight of 456.42 g/mol, XLogP of 5.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]amino]-(cyclopentylamino)methanol is sourced from PubChem (CID 89360463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).