4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

C21H26N6O2S — CID 133407178

IUPAC4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)c1C
InChIInChI=1S/C21H26N6O2S/c1-13-11-14(2)16(4)19(15(13)3)30(28,29)27-9-7-26(8-10-27)21-17-5-6-18(22)25-20(17)23-12-24-21/h5-6,11-12H,7-10H2,1-4H3,(H2,22,23,24,25)
InChIKeyNBVIZXPEMNRMBX-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.35
Rot. Bonds3

About 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 133407178) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID133407178
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)c1C
InChIInChI=1S/C21H26N6O2S/c1-13-11-14(2)16(4)19(15(13)3)30(28,29)27-9-7-26(8-10-27)21-17-5-6-18(22)25-20(17)23-12-24-21/h5-6,11-12H,7-10H2,1-4H3,(H2,22,23,24,25)
InChIKeyNBVIZXPEMNRMBX-UHFFFAOYSA-N
XLogP2.35
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
1-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 1288689
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87551931

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 133407178) is 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)c1C.
What is the InChIKey of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is NBVIZXPEMNRMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-13-11-14(2)16(4)19(15(13)3)30(28,29)27-9-7-26(8-10-27)21-17-5-6-18(22)25-20(17)23-12-24-21/h5-6,11-12H,7-10H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 426.55 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 133407178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).