8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one

C17H26N8O3S — CID 171353198

IUPAC8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2nc3cnc(NN)nc3n(C3CCCC3)c2=O)CC1
InChIInChI=1S/C17H26N8O3S/c1-29(27,28)24-8-6-11(7-9-24)20-14-16(26)25(12-4-2-3-5-12)15-13(21-14)10-19-17(22-15)23-18/h10-12H,2-9,18H2,1H3,(H,20,21)(H,19,22,23)
InChIKeyMHCLIVKNZRFELU-UHFFFAOYSA-N
MW422.52 g/mol
LogP0.42
Rot. Bonds5

About 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one

8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one (PubChem CID 171353198) has the molecular formula C17H26N8O3S and a molecular weight of 422.52 g/mol. Its IUPAC name is 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
PubChem CID171353198
Molecular FormulaC17H26N8O3S
Molecular Weight422.52 g/mol
Exact Mass422.18
IUPAC Name8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2nc3cnc(NN)nc3n(C3CCCC3)c2=O)CC1
InChIInChI=1S/C17H26N8O3S/c1-29(27,28)24-8-6-11(7-9-24)20-14-16(26)25(12-4-2-3-5-12)15-13(21-14)10-19-17(22-15)23-18/h10-12H,2-9,18H2,1H3,(H,20,21)(H,19,22,23)
InChIKeyMHCLIVKNZRFELU-UHFFFAOYSA-N
XLogP0.42
TPSA148.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-Cyclopentyl-2-(2,2-difluoroethylamino)-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171343052
8-Cyclopentyl-6-(methylamino)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171343229
2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-pentan-3-yl-5H-pteridine-6,7-dione
CID 171344335
8-Cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-6-(methylamino)pteridin-7-one
CID 171345208
8-butan-2-yl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-5H-pteridine-6,7-dione
CID 171349420
4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 171349598
8-Cyclopentyl-6-methoxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171350176
8-Cyclopentyl-2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-(methylamino)pteridin-7-one
CID 171350277
4-[(8-cyclopentyl-2-hydrazinyl-7-oxopteridin-6-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 171350360
8-cyclopentyl-2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5H-pteridine-6,7-dione
CID 171350617
4-[[8-cyclopentyl-2-(ethylamino)-7-oxopteridin-6-yl]amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 171351885
8-Butan-2-yl-6-methoxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171352721

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one?
The IUPAC name of 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one (CID 171353198) is 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one?
The canonical SMILES for 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one is CS(=O)(=O)N1CCC(Nc2nc3cnc(NN)nc3n(C3CCCC3)c2=O)CC1.
What is the InChIKey of 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one?
The InChIKey is MHCLIVKNZRFELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O3S/c1-29(27,28)24-8-6-11(7-9-24)20-14-16(26)25(12-4-2-3-5-12)15-13(21-14)10-19-17(22-15)23-18/h10-12H,2-9,18H2,1H3,(H,20,21)(H,19,22,23).
What are the key properties of 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one?
8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one has a molecular weight of 422.52 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-hydrazinyl-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one is sourced from PubChem (CID 171353198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).