(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane

C19H22F2N4 — CID 97374417

IUPAC(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(Cc2cccnc2)C[C@]12CCN(c1ccccn1)C2
InChIInChI=1S/C19H22F2N4/c20-19(21)7-10-24(13-16-4-3-8-22-12-16)14-18(19)6-11-25(15-18)17-5-1-2-9-23-17/h1-5,8-9,12H,6-7,10-11,13-15H2/t18-/m0/s1
InChIKeyFLJQMBPRQVQEOG-SFHVURJKSA-N
MW344.41 g/mol
LogP3.21
Rot. Bonds3

About (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane

(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 97374417) has the molecular formula C19H22F2N4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID97374417
Molecular FormulaC19H22F2N4
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(Cc2cccnc2)C[C@]12CCN(c1ccccn1)C2
InChIInChI=1S/C19H22F2N4/c20-19(21)7-10-24(13-16-4-3-8-22-12-16)14-18(19)6-11-25(15-18)17-5-1-2-9-23-17/h1-5,8-9,12H,6-7,10-11,13-15H2/t18-/m0/s1
InChIKeyFLJQMBPRQVQEOG-SFHVURJKSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-difluoro-2-pyridin-2-yl-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131642876
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374447
(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-3-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696511
(5R)-6,6-difluoro-9-(furan-3-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decane
CID 97374384
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
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
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97399378
(3S,4S)-1-(pyridin-3-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol
CID 45251467
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

Frequently Asked Questions

What is the IUPAC name of (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 97374417) is (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane is FC1(F)CCN(Cc2cccnc2)C[C@]12CCN(c1ccccn1)C2.
What is the InChIKey of (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is FLJQMBPRQVQEOG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F2N4/c20-19(21)7-10-24(13-16-4-3-8-22-12-16)14-18(19)6-11-25(15-18)17-5-1-2-9-23-17/h1-5,8-9,12H,6-7,10-11,13-15H2/t18-/m0/s1.
What are the key properties of (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 344.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97374417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).