5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C23H21N3O2 — CID 118378577

IUPAC5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(-c3cncc(NC(CO)c4ccccc4)c3)cc2C12CC2
InChIInChI=1S/C23H21N3O2/c27-14-21(15-4-2-1-3-5-15)25-18-10-17(12-24-13-18)16-6-7-20-19(11-16)23(8-9-23)22(28)26-20/h1-7,10-13,21,25,27H,8-9,14H2,(H,26,28)
InChIKeyILNZPADQJJDFIF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.88
Rot. Bonds5

About 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 118378577) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID118378577
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(-c3cncc(NC(CO)c4ccccc4)c3)cc2C12CC2
InChIInChI=1S/C23H21N3O2/c27-14-21(15-4-2-1-3-5-15)25-18-10-17(12-24-13-18)16-6-7-20-19(11-16)23(8-9-23)22(28)26-20/h1-7,10-13,21,25,27H,8-9,14H2,(H,26,28)
InChIKeyILNZPADQJJDFIF-UHFFFAOYSA-N
XLogP3.88
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 118378577) is 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(-c3cncc(NC(CO)c4ccccc4)c3)cc2C12CC2.
What is the InChIKey of 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is ILNZPADQJJDFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-14-21(15-4-2-1-3-5-15)25-18-10-17(12-24-13-18)16-6-7-20-19(11-16)23(8-9-23)22(28)26-20/h1-7,10-13,21,25,27H,8-9,14H2,(H,26,28).
What are the key properties of 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 118378577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).