2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C17H21N5O3S — CID 155492706

IUPAC2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCS(=O)(=O)c1ccc(N2CCC3(CCc4c3nc(N)[nH]c4=O)CC2)nc1
InChIInChI=1S/C17H21N5O3S/c1-26(24,25)11-2-3-13(19-10-11)22-8-6-17(7-9-22)5-4-12-14(17)20-16(18)21-15(12)23/h2-3,10H,4-9H2,1H3,(H3,18,20,21,23)
InChIKeyGAWGRRCTFVBGGT-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155492706) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155492706
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCS(=O)(=O)c1ccc(N2CCC3(CCc4c3nc(N)[nH]c4=O)CC2)nc1
InChIInChI=1S/C17H21N5O3S/c1-26(24,25)11-2-3-13(19-10-11)22-8-6-17(7-9-22)5-4-12-14(17)20-16(18)21-15(12)23/h2-3,10H,4-9H2,1H3,(H3,18,20,21,23)
InChIKeyGAWGRRCTFVBGGT-UHFFFAOYSA-N
XLogP0.63
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155492706) is 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is CS(=O)(=O)c1ccc(N2CCC3(CCc4c3nc(N)[nH]c4=O)CC2)nc1.
What is the InChIKey of 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is GAWGRRCTFVBGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-26(24,25)11-2-3-13(19-10-11)22-8-6-17(7-9-22)5-4-12-14(17)20-16(18)21-15(12)23/h2-3,10H,4-9H2,1H3,(H3,18,20,21,23).
What are the key properties of 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 375.45 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-(5-methylsulfonyl-2-pyridinyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155492706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).