6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

C17H21F3N6 — CID 118743283

IUPAC6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC(F)(F)C3(CCN(c4ncc(F)cn4)C3)C2)cn1
InChIInChI=1S/C17H21F3N6/c1-24-9-13(6-23-24)10-25-4-3-17(19,20)16(11-25)2-5-26(12-16)15-21-7-14(18)8-22-15/h6-9H,2-5,10-12H2,1H3
InChIKeyMTVPJBXABKLUOA-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.09
Rot. Bonds3

About 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 118743283) has the molecular formula C17H21F3N6 and a molecular weight of 366.39 g/mol. Its IUPAC name is 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID118743283
Molecular FormulaC17H21F3N6
Molecular Weight366.39 g/mol
Exact Mass366.18
IUPAC Name6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC(F)(F)C3(CCN(c4ncc(F)cn4)C3)C2)cn1
InChIInChI=1S/C17H21F3N6/c1-24-9-13(6-23-24)10-25-4-3-17(19,20)16(11-25)2-5-26(12-16)15-21-7-14(18)8-22-15/h6-9H,2-5,10-12H2,1H3
InChIKeyMTVPJBXABKLUOA-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 118743283) is 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is Cn1cc(CN2CCC(F)(F)C3(CCN(c4ncc(F)cn4)C3)C2)cn1.
What is the InChIKey of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is MTVPJBXABKLUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6/c1-24-9-13(6-23-24)10-25-4-3-17(19,20)16(11-25)2-5-26(12-16)15-21-7-14(18)8-22-15/h6-9H,2-5,10-12H2,1H3.
What are the key properties of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 366.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118743283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).