2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one

C20H23ClN6O4S — CID 118440694

IUPAC2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one
SMILESCCS(=O)(=O)c1ccc(CNc2nc3cnc(Cl)nc3n([C@H]3CCC[C@@H]3OC)c2=O)nc1
InChIInChI=1S/C20H23ClN6O4S/c1-3-32(29,30)13-8-7-12(22-10-13)9-23-17-19(28)27(15-5-4-6-16(15)31-2)18-14(25-17)11-24-20(21)26-18/h7-8,10-11,15-16H,3-6,9H2,1-2H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyFKMOMUBPZAZOQV-HOTGVXAUSA-N
MW478.96 g/mol
LogP2.38
Rot. Bonds7

About 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one

2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one (PubChem CID 118440694) has the molecular formula C20H23ClN6O4S and a molecular weight of 478.96 g/mol. Its IUPAC name is 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one.

Molecular Properties

Compound Name2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one
PubChem CID118440694
Molecular FormulaC20H23ClN6O4S
Molecular Weight478.96 g/mol
Exact Mass478.12
IUPAC Name2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one
SMILESCCS(=O)(=O)c1ccc(CNc2nc3cnc(Cl)nc3n([C@H]3CCC[C@@H]3OC)c2=O)nc1
InChIInChI=1S/C20H23ClN6O4S/c1-3-32(29,30)13-8-7-12(22-10-13)9-23-17-19(28)27(15-5-4-6-16(15)31-2)18-14(25-17)11-24-20(21)26-18/h7-8,10-11,15-16H,3-6,9H2,1-2H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyFKMOMUBPZAZOQV-HOTGVXAUSA-N
XLogP2.38
TPSA128.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-8-[(1R)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 118440613
8-cyclobutyl-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 118440380
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-(2-oxocyclopentyl)pteridin-7-one
CID 118440452
2-[2-[(3E)-2-cyclopropyl-4-(ethylideneamino)penta-1,3-dien-3-yl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-7-oxopteridin-8-yl]cyclopentane-1-carbonitrile
CID 137384587
6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
CID 118440658
2-(4,6-dicyclopropylpyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(3R)-oxolan-3-yl]pteridin-7-one
CID 118440415
2-chloro-8-[(1S)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-4-methylpteridin-7-one
CID 140928001
2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-8-(oxolan-3-yl)pteridin-7-one
CID 138713435
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-(2-methoxyethyl)pteridin-7-one
CID 147921432
2-chloro-8-cyclopropyl-6-[(4-ethylsulfanylphenyl)methylamino]pteridin-7-one
CID 138713411
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-(1-methylcyclopropyl)pteridin-7-one;molecular hydrogen
CID 144947512
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrido[2,3-b]pyrazin-3-one
CID 162672802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one?
The IUPAC name of 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one (CID 118440694) is 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one.
What is the SMILES notation for 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one?
The canonical SMILES for 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one is CCS(=O)(=O)c1ccc(CNc2nc3cnc(Cl)nc3n([C@H]3CCC[C@@H]3OC)c2=O)nc1.
What is the InChIKey of 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one?
The InChIKey is FKMOMUBPZAZOQV-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H23ClN6O4S/c1-3-32(29,30)13-8-7-12(22-10-13)9-23-17-19(28)27(15-5-4-6-16(15)31-2)18-14(25-17)11-24-20(21)26-18/h7-8,10-11,15-16H,3-6,9H2,1-2H3,(H,23,25)/t15-,16-/m0/s1.
What are the key properties of 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one?
2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one has a molecular weight of 478.96 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one is sourced from PubChem (CID 118440694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).