1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one

C20H22N6OS — CID 167167371

IUPAC1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
SMILESCSc1ccc(N[C@H]2CC[C@H](Nc3ncc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C20H22N6OS/c1-28-17-7-8-18(21-13-17)24-14-5-6-15(10-14)25-20-22-11-16(12-23-20)26-9-3-2-4-19(26)27/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1
InChIKeyBQYJJXGYFJEVQW-GJZGRUSLSA-N
MW394.50 g/mol
LogP3.19
Rot. Bonds6

About 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one

1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one (PubChem CID 167167371) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
PubChem CID167167371
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
SMILESCSc1ccc(N[C@H]2CC[C@H](Nc3ncc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C20H22N6OS/c1-28-17-7-8-18(21-13-17)24-14-5-6-15(10-14)25-20-22-11-16(12-23-20)26-9-3-2-4-19(26)27/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1
InChIKeyBQYJJXGYFJEVQW-GJZGRUSLSA-N
XLogP3.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[[(1S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-4-pyridinyl]pyridin-2-one
CID 154653598
1-[4-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]phenyl]pyridin-2-one
CID 154653858
4-[2-hydroxy-2-[2-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]pyrimidin-5-yl]ethyl]-2-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]-3-pyridinyl]pyridazin-3-one
CID 155003173
1-[6-[[(1S,2R,4R,5R,6R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
CID 155114696
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
lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate
CID 171756462
1-[6-[[(1S,3S)-3-[(5-cyclopropyl-1,2,4-thiadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171512409
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(3H-1,2,4-triazol-5-yl)pyridin-2-one
CID 161364571
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100937
1-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 157399978
1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171767402

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one (CID 167167371) is 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one is CSc1ccc(N[C@H]2CC[C@H](Nc3ncc(-n4ccccc4=O)cn3)C2)nc1.
What is the InChIKey of 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one?
The InChIKey is BQYJJXGYFJEVQW-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-28-17-7-8-18(21-13-17)24-14-5-6-15(10-14)25-20-22-11-16(12-23-20)26-9-3-2-4-19(26)27/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1.
What are the key properties of 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one?
1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one has a molecular weight of 394.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 167167371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).