(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane

C18H21F2N5 — CID 97374447

IUPAC(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(Cc2ccccn2)C[C@@]12CCN(c1cnccn1)C2
InChIInChI=1S/C18H21F2N5/c19-18(20)5-9-24(12-15-3-1-2-6-22-15)13-17(18)4-10-25(14-17)16-11-21-7-8-23-16/h1-3,6-8,11H,4-5,9-10,12-14H2/t17-/m1/s1
InChIKeyPMJYGVBIWDWOAJ-QGZVFWFLSA-N
MW345.40 g/mol
LogP2.61
Rot. Bonds3

About (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane

(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 97374447) has the molecular formula C18H21F2N5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID97374447
Molecular FormulaC18H21F2N5
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(Cc2ccccn2)C[C@@]12CCN(c1cnccn1)C2
InChIInChI=1S/C18H21F2N5/c19-18(20)5-9-24(12-15-3-1-2-6-22-15)13-17(18)4-10-25(14-17)16-11-21-7-8-23-16/h1-3,6-8,11H,4-5,9-10,12-14H2/t17-/m1/s1
InChIKeyPMJYGVBIWDWOAJ-QGZVFWFLSA-N
XLogP2.61
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374417
6,6-difluoro-2-pyridin-2-yl-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131642876
6,6-difluoro-2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171685860
(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
CID 97374411
6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
CID 131652689
6,6-difluoro-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 121229504
(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432
6,6-difluoro-9-[(5-methylfuran-2-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171697250
11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131659145
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane
CID 131651713
(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 155871914

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 97374447) is (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is FC1(F)CCN(Cc2ccccn2)C[C@@]12CCN(c1cnccn1)C2.
What is the InChIKey of (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is PMJYGVBIWDWOAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21F2N5/c19-18(20)5-9-24(12-15-3-1-2-6-22-15)13-17(18)4-10-25(14-17)16-11-21-7-8-23-16/h1-3,6-8,11H,4-5,9-10,12-14H2/t17-/m1/s1.
What are the key properties of (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 345.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97374447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).