1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C26H29F2N7O2 — CID 155770114

IUPAC1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cn1)C2
InChIInChI=1S/C26H29F2N7O2/c1-18(36)34-10-8-26(9-11-34)16-35(17-26)23-6-3-19(13-31-23)12-30-22-5-7-24(33-32-22)37-15-20-2-4-21(25(27)28)29-14-20/h2-7,13-14,25H,8-12,15-17H2,1H3,(H,30,32)
InChIKeySZWPTLXSKLHZCH-UHFFFAOYSA-N
MW509.56 g/mol
LogP3.84
Rot. Bonds8

About 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 155770114) has the molecular formula C26H29F2N7O2 and a molecular weight of 509.56 g/mol. Its IUPAC name is 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID155770114
Molecular FormulaC26H29F2N7O2
Molecular Weight509.56 g/mol
Exact Mass509.24
IUPAC Name1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cn1)C2
InChIInChI=1S/C26H29F2N7O2/c1-18(36)34-10-8-26(9-11-34)16-35(17-26)23-6-3-19(13-31-23)12-30-22-5-7-24(33-32-22)37-15-20-2-4-21(25(27)28)29-14-20/h2-7,13-14,25H,8-12,15-17H2,1H3,(H,30,32)
InChIKeySZWPTLXSKLHZCH-UHFFFAOYSA-N
XLogP3.84
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 155770114) is 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is CC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cn1)C2.
What is the InChIKey of 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is SZWPTLXSKLHZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O2/c1-18(36)34-10-8-26(9-11-34)16-35(17-26)23-6-3-19(13-31-23)12-30-22-5-7-24(33-32-22)37-15-20-2-4-21(25(27)28)29-14-20/h2-7,13-14,25H,8-12,15-17H2,1H3,(H,30,32).
What are the key properties of 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 509.56 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 155770114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).