4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

C20H22N6O2S — CID 133407726

IUPAC4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ncnc2n1
InChIInChI=1S/C20H22N6O2S/c21-18-7-6-17-19(24-18)22-13-23-20(17)25-8-10-26(11-9-25)29(27,28)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23,24)
InChIKeyQEZMARFWNPQEGN-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.61
Rot. Bonds3

About 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 133407726) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID133407726
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ncnc2n1
InChIInChI=1S/C20H22N6O2S/c21-18-7-6-17-19(24-18)22-13-23-20(17)25-8-10-26(11-9-25)29(27,28)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23,24)
InChIKeyQEZMARFWNPQEGN-UHFFFAOYSA-N
XLogP1.61
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine with MolForge

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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-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 25315664
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
CID 133345278
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18190429
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]quinolin-1-ium
CID 9172486
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36723855
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 30640158
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 133407726) is 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is Nc1ccc2c(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ncnc2n1.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is QEZMARFWNPQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c21-18-7-6-17-19(24-18)22-13-23-20(17)25-8-10-26(11-9-25)29(27,28)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23,24).
What are the key properties of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 410.50 g/mol, XLogP of 1.61, 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-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 133407726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).