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

C18H23F2N5 — CID 118745914

IUPAC6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC(F)(F)C3(CCN(c4ccccn4)C3)C2)cn1
InChIInChI=1S/C18H23F2N5/c1-23-11-15(10-22-23)12-24-8-6-18(19,20)17(13-24)5-9-25(14-17)16-4-2-3-7-21-16/h2-4,7,10-11H,5-6,8-9,12-14H2,1H3
InChIKeyNZLOFNMMUHBNHB-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.55
Rot. Bonds3

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

6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 118745914) has the molecular formula C18H23F2N5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID118745914
Molecular FormulaC18H23F2N5
Molecular Weight347.41 g/mol
Exact Mass347.19
IUPAC Name6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC(F)(F)C3(CCN(c4ccccn4)C3)C2)cn1
InChIInChI=1S/C18H23F2N5/c1-23-11-15(10-22-23)12-24-8-6-18(19,20)17(13-24)5-9-25(14-17)16-4-2-3-7-21-16/h2-4,7,10-11H,5-6,8-9,12-14H2,1H3
InChIKeyNZLOFNMMUHBNHB-UHFFFAOYSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane (CID 118745914) is 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane is Cn1cc(CN2CCC(F)(F)C3(CCN(c4ccccn4)C3)C2)cn1.
What is the InChIKey of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is NZLOFNMMUHBNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5/c1-23-11-15(10-22-23)12-24-8-6-18(19,20)17(13-24)5-9-25(14-17)16-4-2-3-7-21-16/h2-4,7,10-11H,5-6,8-9,12-14H2,1H3.
What are the key properties of 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 347.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118745914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).