6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C17H22F2N6 — CID 118746338

IUPAC6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC(F)(F)C3(CCN(c4cnccn4)C3)C2)cn1
InChIInChI=1S/C17H22F2N6/c1-23-10-14(8-22-23)11-24-6-3-17(18,19)16(12-24)2-7-25(13-16)15-9-20-4-5-21-15/h4-5,8-10H,2-3,6-7,11-13H2,1H3
InChIKeyUKSYNBSWEROOBG-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.95
Rot. Bonds3

About 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 118746338) has the molecular formula C17H22F2N6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID118746338
Molecular FormulaC17H22F2N6
Molecular Weight348.40 g/mol
Exact Mass348.19
IUPAC Name6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC(F)(F)C3(CCN(c4cnccn4)C3)C2)cn1
InChIInChI=1S/C17H22F2N6/c1-23-10-14(8-22-23)11-24-6-3-17(18,19)16(12-24)2-7-25(13-16)15-9-20-4-5-21-15/h4-5,8-10H,2-3,6-7,11-13H2,1H3
InChIKeyUKSYNBSWEROOBG-UHFFFAOYSA-N
XLogP1.95
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 118746338) is 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is Cn1cc(CN2CCC(F)(F)C3(CCN(c4cnccn4)C3)C2)cn1.
What is the InChIKey of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is UKSYNBSWEROOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6/c1-23-10-14(8-22-23)11-24-6-3-17(18,19)16(12-24)2-7-25(13-16)15-9-20-4-5-21-15/h4-5,8-10H,2-3,6-7,11-13H2,1H3.
What are the key properties of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 348.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118746338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).