2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide

C24H29F2N5O3 — CID 163237929

IUPAC2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(OC2CC3(CCC3)C2)nn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C24H29F2N5O3/c1-15(31-10-9-24(25,26)18(14-31)16-3-5-20(32)27-13-16)22(33)28-19-4-6-21(30-29-19)34-17-11-23(12-17)7-2-8-23/h3-6,13,15,17-18H,2,7-12,14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyIXORANRSIFIOQZ-UHFFFAOYSA-N
MW473.52 g/mol
LogP3.33
Rot. Bonds6

About 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide

2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide (PubChem CID 163237929) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide.

Molecular Properties

Compound Name2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide
PubChem CID163237929
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC Name2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(OC2CC3(CCC3)C2)nn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C24H29F2N5O3/c1-15(31-10-9-24(25,26)18(14-31)16-3-5-20(32)27-13-16)22(33)28-19-4-6-21(30-29-19)34-17-11-23(12-17)7-2-8-23/h3-6,13,15,17-18H,2,7-12,14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyIXORANRSIFIOQZ-UHFFFAOYSA-N
XLogP3.33
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide?
The IUPAC name of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide (CID 163237929) is 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide.
What is the SMILES notation for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide?
The canonical SMILES for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide is CC(C(=O)Nc1ccc(OC2CC3(CCC3)C2)nn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide?
The InChIKey is IXORANRSIFIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-15(31-10-9-24(25,26)18(14-31)16-3-5-20(32)27-13-16)22(33)28-19-4-6-21(30-29-19)34-17-11-23(12-17)7-2-8-23/h3-6,13,15,17-18H,2,7-12,14H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide?
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide has a molecular weight of 473.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-spiro[3.3]heptan-2-yloxypyridazin-3-yl)propanamide is sourced from PubChem (CID 163237929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).