9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C16H22F2N4 — CID 131645863

IUPAC9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(CC2CC2)CC12CCN(c1cnccn1)C2
InChIInChI=1S/C16H22F2N4/c17-16(18)4-7-21(10-13-1-2-13)11-15(16)3-8-22(12-15)14-9-19-5-6-20-14/h5-6,9,13H,1-4,7-8,10-12H2
InChIKeyIUXJCHQGQNBZPV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.42
Rot. Bonds3

About 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 131645863) has the molecular formula C16H22F2N4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID131645863
Molecular FormulaC16H22F2N4
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(CC2CC2)CC12CCN(c1cnccn1)C2
InChIInChI=1S/C16H22F2N4/c17-16(18)4-7-21(10-13-1-2-13)11-15(16)3-8-22(12-15)14-9-19-5-6-20-14/h5-6,9,13H,1-4,7-8,10-12H2
InChIKeyIUXJCHQGQNBZPV-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 131645863) is 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is FC1(F)CCN(CC2CC2)CC12CCN(c1cnccn1)C2.
What is the InChIKey of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is IUXJCHQGQNBZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4/c17-16(18)4-7-21(10-13-1-2-13)11-15(16)3-8-22(12-15)14-9-19-5-6-20-14/h5-6,9,13H,1-4,7-8,10-12H2.
What are the key properties of 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 308.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131645863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).