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

C19H23F2N3S — CID 97374411

IUPAC(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1
InChIInChI=1S/C19H23F2N3S/c1-15-5-6-16(25-15)12-23-10-8-19(20,21)18(13-23)7-11-24(14-18)17-4-2-3-9-22-17/h2-6,9H,7-8,10-14H2,1H3/t18-/m1/s1
InChIKeySKXVCJREEXPHRN-GOSISDBHSA-N
MW363.48 g/mol
LogP4.19
Rot. Bonds3

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

(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 97374411) has the molecular formula C19H23F2N3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID97374411
Molecular FormulaC19H23F2N3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1
InChIInChI=1S/C19H23F2N3S/c1-15-5-6-16(25-15)12-23-10-8-19(20,21)18(13-23)7-11-24(14-18)17-4-2-3-9-22-17/h2-6,9H,7-8,10-14H2,1H3/t18-/m1/s1
InChIKeySKXVCJREEXPHRN-GOSISDBHSA-N
XLogP4.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-yl-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131642876
(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374417
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374447
7-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696458
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
3-methyl-9-[(5-methylthiophen-2-yl)methyl]-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155835384
(4R,5R)-7-[(5-methylthiophen-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124818084
(4R,5S)-7-[(5-methylthiophen-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97484989
(3S,5S)-N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521817
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 (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane (CID 97374411) is (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane is Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1.
What is the InChIKey of (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is SKXVCJREEXPHRN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23F2N3S/c1-15-5-6-16(25-15)12-23-10-8-19(20,21)18(13-23)7-11-24(14-18)17-4-2-3-9-22-17/h2-6,9H,7-8,10-14H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane?
(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 363.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97374411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).