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

C17H19FN4O3S — CID 155503804

IUPAC2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCC21CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN4O3S/c18-12-3-1-2-4-13(12)26(24,25)22-9-7-17(8-10-22)6-5-11-14(17)20-16(19)21-15(11)23/h1-4H,5-10H2,(H3,19,20,21,23)
InChIKeyYXBYSSNWHKWGPO-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.16
Rot. Bonds2

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

2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155503804) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155503804
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCC21CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN4O3S/c18-12-3-1-2-4-13(12)26(24,25)22-9-7-17(8-10-22)6-5-11-14(17)20-16(19)21-15(11)23/h1-4H,5-10H2,(H3,19,20,21,23)
InChIKeyYXBYSSNWHKWGPO-UHFFFAOYSA-N
XLogP1.16
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Related Compounds

2-[1-(2-Trifluoromethyl-benzenesulfonyl)-piperidin-4-ylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135515966
2-[1-(4-Trifluoromethyl-benzenesulfonyl)-piperidin-4-ylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135515968
4,5-dimethyl-2-[[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 135674375
2-[[1-[4-(Trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135674376
2-[[1-[2-(Trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135719652
5-ethyl-4-methyl-2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 135719657
4,5-dimethyl-2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761460
N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide
CID 135431306
2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135515967
4-fluoro-N-[4-methyl-5-[(2-methylphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]benzenesulfonamide
CID 136247649
4-fluoro-N-[4-methyl-5-[(3-methylphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]benzenesulfonamide
CID 136247681
4-fluoro-N-[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]benzenesulfonamide
CID 136247710

Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155503804) is 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Nc1nc2c(c(=O)[nH]1)CCC21CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is YXBYSSNWHKWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c18-12-3-1-2-4-13(12)26(24,25)22-9-7-17(8-10-22)6-5-11-14(17)20-16(19)21-15(11)23/h1-4H,5-10H2,(H3,19,20,21,23).
What are the key properties of 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 378.43 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-(2-fluorophenyl)sulfonylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155503804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).