4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

C17H16F2N6O2S — CID 133407155

IUPAC4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ncnc2n1
InChIInChI=1S/C17H16F2N6O2S/c18-12-2-1-3-13(19)15(12)28(26,27)25-8-6-24(7-9-25)17-11-4-5-14(20)23-16(11)21-10-22-17/h1-5,10H,6-9H2,(H2,20,21,22,23)
InChIKeyGOWFUJRWANCRGG-UHFFFAOYSA-N
MW406.42 g/mol
LogP1.40
Rot. Bonds3

About 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 133407155) has the molecular formula C17H16F2N6O2S and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID133407155
Molecular FormulaC17H16F2N6O2S
Molecular Weight406.42 g/mol
Exact Mass406.10
IUPAC Name4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ncnc2n1
InChIInChI=1S/C17H16F2N6O2S/c18-12-2-1-3-13(19)15(12)28(26,27)25-8-6-24(7-9-25)17-11-4-5-14(20)23-16(11)21-10-22-17/h1-5,10H,6-9H2,(H2,20,21,22,23)
InChIKeyGOWFUJRWANCRGG-UHFFFAOYSA-N
XLogP1.40
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407178
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
CID 133345227
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093769
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462995
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 166307195
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 163347332
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 133407155) is 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is Nc1ccc2c(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ncnc2n1.
What is the InChIKey of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is GOWFUJRWANCRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2S/c18-12-2-1-3-13(19)15(12)28(26,27)25-8-6-24(7-9-25)17-11-4-5-14(20)23-16(11)21-10-22-17/h1-5,10H,6-9H2,(H2,20,21,22,23).
What are the key properties of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 406.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 133407155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).