6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde

About 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde

6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 166066319) has the molecular formula C34H32Cl2FN5O3 and a molecular weight of 648.57 g/mol. Its IUPAC name is 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name	6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID	166066319
Molecular Formula	C34H32Cl2FN5O3
Molecular Weight	648.57 g/mol
Exact Mass	647.19
IUPAC Name	6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
SMILES	COc1nc(-c2cccc(-c3cccc(Nc4nccc(CN5CCC6(CCCC(=O)N6)CC5)c4F)c3Cl)c2Cl)ccc1C=O
InChI	InChI=1S/C34H32Cl2FN5O3/c1-45-33-22(20-43)10-11-26(40-33)25-7-2-5-23(29(25)35)24-6-3-8-27(30(24)36)39-32-31(37)21(12-16-38-32)19-42-17-14-34(15-18-42)13-4-9-28(44)41-34/h2-3,5-8,10-12,16,20H,4,9,13-15,17-19H2,1H3,(H,38,39)(H,41,44)
InChIKey	YNXBDENUTICSCS-UHFFFAOYSA-N
XLogP	7.46
TPSA	96.45 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.57
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?

The IUPAC name of 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde (CID 166066319) is 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde is COc1nc(-c2cccc(-c3cccc(Nc4nccc(CN5CCC6(CCCC(=O)N6)CC5)c4F)c3Cl)c2Cl)ccc1C=O.

What is the InChIKey of 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?

The InChIKey is YNXBDENUTICSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2FN5O3/c1-45-33-22(20-43)10-11-26(40-33)25-7-2-5-23(29(25)35)24-6-3-8-27(30(24)36)39-32-31(37)21(12-16-38-32)19-42-17-14-34(15-18-42)13-4-9-28(44)41-34/h2-3,5-8,10-12,16,20H,4,9,13-15,17-19H2,1H3,(H,38,39)(H,41,44).

What are the key properties of 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?

6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 648.57 g/mol, XLogP of 7.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-3-[2-chloro-3-[[3-fluoro-4-[(2-oxo-1,9-diazaspiro[5.5]undecan-9-yl)methyl]-2-pyridinyl]amino]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 166066319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).