1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one

C21H22N4O2S — CID 159101591

IUPAC1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(C[C@H]2CC[C@H](Oc3ccc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C21H22N4O2S/c1-28-18-13-22-19(23-14-18)11-15-5-7-17(10-15)27-20-8-6-16(12-24-20)25-9-3-2-4-21(25)26/h2-4,6,8-9,12-15,17H,5,7,10-11H2,1H3/t15-,17-/m0/s1
InChIKeyQVZFWNXPQVBQPR-RDJZCZTQSA-N
MW394.50 g/mol
LogP3.53
Rot. Bonds6

About 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one

1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one (PubChem CID 159101591) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one
PubChem CID159101591
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(C[C@H]2CC[C@H](Oc3ccc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C21H22N4O2S/c1-28-18-13-22-19(23-14-18)11-15-5-7-17(10-15)27-20-8-6-16(12-24-20)25-9-3-2-4-21(25)26/h2-4,6,8-9,12-15,17H,5,7,10-11H2,1H3/t15-,17-/m0/s1
InChIKeyQVZFWNXPQVBQPR-RDJZCZTQSA-N
XLogP3.53
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 160600124
1-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 157399978
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 158252114
1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 161092924
1-[6-[[(1S,3S)-3-aminocyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 161092923
1-[4-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]phenyl]pyridin-2-one
CID 154653858
1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
CID 155114690
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]-2-oxopyridine-4-carbonitrile;1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one
CID 160915601
1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
CID 167167371
1-[2-[[(1S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-4-pyridinyl]pyridin-2-one
CID 154653598
1-(6-fluoro-3-pyridinyl)pyridin-2-one
CID 58269450
1-(6-chloro-3-pyridinyl)pyridin-2-one
CID 135221335

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one (CID 159101591) is 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one is CSc1cnc(C[C@H]2CC[C@H](Oc3ccc(-n4ccccc4=O)cn3)C2)nc1.
What is the InChIKey of 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one?
The InChIKey is QVZFWNXPQVBQPR-RDJZCZTQSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-28-18-13-22-19(23-14-18)11-15-5-7-17(10-15)27-20-8-6-16(12-24-20)25-9-3-2-4-21(25)26/h2-4,6,8-9,12-15,17H,5,7,10-11H2,1H3/t15-,17-/m0/s1.
What are the key properties of 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one?
1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one has a molecular weight of 394.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 159101591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).