6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde

C32H28Cl2FN5O3 — CID 166066333

IUPAC6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nccc(CN5CC6(C5)CN(C(C)=O)C6)c4F)c3Cl)c2Cl)ccc1C=O
InChIInChI=1S/C32H28Cl2FN5O3/c1-19(42)40-17-32(18-40)15-39(16-32)13-20-11-12-36-30(29(20)35)37-26-8-4-6-23(28(26)34)22-5-3-7-24(27(22)33)25-10-9-21(14-41)31(38-25)43-2/h3-12,14H,13,15-18H2,1-2H3,(H,36,37)
InChIKeyLAMMVYAGOAYPMV-UHFFFAOYSA-N
MW620.51 g/mol
LogP6.49
Rot. Bonds8

About 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde

6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 166066333) has the molecular formula C32H28Cl2FN5O3 and a molecular weight of 620.51 g/mol. Its IUPAC name is 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID166066333
Molecular FormulaC32H28Cl2FN5O3
Molecular Weight620.51 g/mol
Exact Mass619.16
IUPAC Name6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nccc(CN5CC6(C5)CN(C(C)=O)C6)c4F)c3Cl)c2Cl)ccc1C=O
InChIInChI=1S/C32H28Cl2FN5O3/c1-19(42)40-17-32(18-40)15-39(16-32)13-20-11-12-36-30(29(20)35)37-26-8-4-6-23(28(26)34)22-5-3-7-24(27(22)33)25-10-9-21(14-41)31(38-25)43-2/h3-12,14H,13,15-18H2,1-2H3,(H,36,37)
InChIKeyLAMMVYAGOAYPMV-UHFFFAOYSA-N
XLogP6.49
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde (CID 166066333) is 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde is COc1nc(-c2cccc(-c3cccc(Nc4nccc(CN5CC6(C5)CN(C(C)=O)C6)c4F)c3Cl)c2Cl)ccc1C=O.
What is the InChIKey of 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is LAMMVYAGOAYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2FN5O3/c1-19(42)40-17-32(18-40)15-39(16-32)13-20-11-12-36-30(29(20)35)37-26-8-4-6-23(28(26)34)22-5-3-7-24(27(22)33)25-10-9-21(14-41)31(38-25)43-2/h3-12,14H,13,15-18H2,1-2H3,(H,36,37).
What are the key properties of 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde?
6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 620.51 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[[4-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-3-fluoro-2-pyridinyl]amino]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 166066333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).