6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C30H44N6O2S — CID 10076319

IUPAC6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1)N1CCc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2C1
InChIInChI=1S/C30H44N6O2S/c37-39(38,26-13-7-3-8-14-26)36-22-17-28-27(23-36)29(31-24-11-5-1-2-6-12-24)33-30(32-28)35-20-15-25(16-21-35)34-18-9-4-10-19-34/h3,7-8,13-14,24-25H,1-2,4-6,9-12,15-23H2,(H,31,32,33)
InChIKeyWZFLUEMDOPQWQT-UHFFFAOYSA-N
MW552.79 g/mol
LogP4.81
Rot. Bonds6

About 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 10076319) has the molecular formula C30H44N6O2S and a molecular weight of 552.79 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID10076319
Molecular FormulaC30H44N6O2S
Molecular Weight552.79 g/mol
Exact Mass552.32
IUPAC Name6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1)N1CCc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2C1
InChIInChI=1S/C30H44N6O2S/c37-39(38,26-13-7-3-8-14-26)36-22-17-28-27(23-36)29(31-24-11-5-1-2-6-12-24)33-30(32-28)35-20-15-25(16-21-35)34-18-9-4-10-19-34/h3,7-8,13-14,24-25H,1-2,4-6,9-12,15-23H2,(H,31,32,33)
InChIKeyWZFLUEMDOPQWQT-UHFFFAOYSA-N
XLogP4.81
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-(benzenesulfonyl)-4-(4-methoxyphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46050786
6-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42870892
N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 4997573
4-(2-fluorophenoxy)-6-(3-methylphenyl)sulfonyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072914
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-[1-(benzenesulfonyl)piperidin-3-yl]azepan-3-amine
CID 66903733
N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870903
N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 166235366
4-(azepan-1-yl)-N-[1-[1-(benzenesulfonyl)piperidin-3-yl]piperidin-3-yl]pyrimidin-2-amine
CID 66903312
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908
6-(3-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072787
6-(4-fluorophenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42787030
6-(3-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072918

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 10076319) is 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is O=S(=O)(c1ccccc1)N1CCc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2C1.
What is the InChIKey of 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WZFLUEMDOPQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O2S/c37-39(38,26-13-7-3-8-14-26)36-22-17-28-27(23-36)29(31-24-11-5-1-2-6-12-24)33-30(32-28)35-20-15-25(16-21-35)34-18-9-4-10-19-34/h3,7-8,13-14,24-25H,1-2,4-6,9-12,15-23H2,(H,31,32,33).
What are the key properties of 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 552.79 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-cycloheptyl-2-(4-piperidin-1-ylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10076319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).