N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide

About N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide

N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide (PubChem CID 73057728) has the molecular formula C26H25Cl2FN4O4 and a molecular weight of 547.41 g/mol. Its IUPAC name is N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name	N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide
PubChem CID	73057728
Molecular Formula	C26H25Cl2FN4O4
Molecular Weight	547.41 g/mol
Exact Mass	546.12
IUPAC Name	N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide
SMILES	C[C@@H](Oc1cc(-c2ccc3c(c2)C(NC(=O)CO)CC2(CNC2)O3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChI	InChI=1S/C26H25Cl2FN4O4/c1-13(23-17(27)3-4-18(29)24(23)28)36-21-7-15(9-32-25(21)30)14-2-5-20-16(6-14)19(33-22(35)10-34)8-26(37-20)11-31-12-26/h2-7,9,13,19,31,34H,8,10-12H2,1H3,(H2,30,32)(H,33,35)/t13-,19?/m1/s1
InChIKey	VPHPBUDMLIOZDE-BSOCMFCZSA-N
XLogP	4.19
TPSA	118.73 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.41
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide?

The IUPAC name of N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide (CID 73057728) is N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide is C[C@@H](Oc1cc(-c2ccc3c(c2)C(NC(=O)CO)CC2(CNC2)O3)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide?

The InChIKey is VPHPBUDMLIOZDE-BSOCMFCZSA-N. The full InChI is InChI=1S/C26H25Cl2FN4O4/c1-13(23-17(27)3-4-18(29)24(23)28)36-21-7-15(9-32-25(21)30)14-2-5-20-16(6-14)19(33-22(35)10-34)8-26(37-20)11-31-12-26/h2-7,9,13,19,31,34H,8,10-12H2,1H3,(H2,30,32)(H,33,35)/t13-,19?/m1/s1.

What are the key properties of N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide?

N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide has a molecular weight of 547.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]spiro[3,4-dihydrochromene-2,3'-azetidine]-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 73057728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).