5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine

C22H27N5O2S — CID 87013713

IUPAC5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12
InChIInChI=1S/C22H27N5O2S/c1-16-21-12-17(14-23-22(21)25(2)24-16)15-26-8-10-27(11-9-26)30(28,29)20-7-6-18-4-3-5-19(18)13-20/h6-7,12-14H,3-5,8-11,15H2,1-2H3
InChIKeyMUWXTTVHQRVOTP-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.27
Rot. Bonds4

About 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine

5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 87013713) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
PubChem CID87013713
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12
InChIInChI=1S/C22H27N5O2S/c1-16-21-12-17(14-23-22(21)25(2)24-16)15-26-8-10-27(11-9-26)30(28,29)20-7-6-18-4-3-5-19(18)13-20/h6-7,12-14H,3-5,8-11,15H2,1-2H3
InChIKeyMUWXTTVHQRVOTP-UHFFFAOYSA-N
XLogP2.27
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 29352357
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27639550
1-[(3-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073961
6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673804
1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 25315664
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50794270
1-[(2-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073947
6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 39911961
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609853
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine (CID 87013713) is 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine is Cc1nn(C)c2ncc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12.
What is the InChIKey of 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is MUWXTTVHQRVOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-16-21-12-17(14-23-22(21)25(2)24-16)15-26-8-10-27(11-9-26)30(28,29)20-7-6-18-4-3-5-19(18)13-20/h6-7,12-14H,3-5,8-11,15H2,1-2H3.
What are the key properties of 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 425.56 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 87013713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).