3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C49H67N7O7S3 — CID 158255844

IUPAC3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.CC1CC(S(=O)(=O)N2CCC(c3ccncc3)CC2)C1.CC1CC(S(=O)(=O)N2CCC(c3coc4cccnc34)CC2)C1
InChIInChI=1S/C17H23N3O2S.C17H22N2O3S.C15H22N2O2S/c1-12-9-14(10-12)23(21,22)20-7-4-13(5-8-20)16-11-19-17-15(16)3-2-6-18-17;1-12-9-14(10-12)23(20,21)19-7-4-13(5-8-19)15-11-22-16-3-2-6-18-17(15)16;1-12-10-15(11-12)20(18,19)17-8-4-14(5-9-17)13-2-6-16-7-3-13/h2-3,6,11-14H,4-5,7-10H2,1H3,(H,18,19);2-3,6,11-14H,4-5,7-10H2,1H3;2-3,6-7,12,14-15H,4-5,8-11H2,1H3
InChIKeyGHGUVJDWBQFBLP-UHFFFAOYSA-N
MW962.32 g/mol
LogP8.40
Rot. Bonds9

About 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158255844) has the molecular formula C49H67N7O7S3 and a molecular weight of 962.32 g/mol. Its IUPAC name is 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID158255844
Molecular FormulaC49H67N7O7S3
Molecular Weight962.32 g/mol
Exact Mass961.43
IUPAC Name3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.CC1CC(S(=O)(=O)N2CCC(c3ccncc3)CC2)C1.CC1CC(S(=O)(=O)N2CCC(c3coc4cccnc34)CC2)C1
InChIInChI=1S/C17H23N3O2S.C17H22N2O3S.C15H22N2O2S/c1-12-9-14(10-12)23(21,22)20-7-4-13(5-8-20)16-11-19-17-15(16)3-2-6-18-17;1-12-9-14(10-12)23(20,21)19-7-4-13(5-8-19)15-11-22-16-3-2-6-18-17(15)16;1-12-10-15(11-12)20(18,19)17-8-4-14(5-9-17)13-2-6-16-7-3-13/h2-3,6,11-14H,4-5,7-10H2,1H3,(H,18,19);2-3,6,11-14H,4-5,7-10H2,1H3;2-3,6-7,12,14-15H,4-5,8-11H2,1H3
InChIKeyGHGUVJDWBQFBLP-UHFFFAOYSA-N
XLogP8.40
TPSA179.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.32
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

US10966980, Example 235
CID 118868875
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine
CID 177377482
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidine
CID 24995736
2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 24996386
2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine
CID 59053780
(E)-3-(4-methylpiperazin-1-yl)-1-[6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]prop-2-en-1-one
CID 66927726
2-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidin-4-yl]amino]ethanol
CID 70310666
4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 72201822
3-(4-methylpiperazin-1-yl)-1-[6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]prop-2-en-1-one
CID 77200247
4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 126620947
N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 126620948
4-[(1S)-1-[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 126620989

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 158255844) is 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is CC1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.CC1CC(S(=O)(=O)N2CCC(c3ccncc3)CC2)C1.CC1CC(S(=O)(=O)N2CCC(c3coc4cccnc34)CC2)C1.
What is the InChIKey of 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GHGUVJDWBQFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.C17H22N2O3S.C15H22N2O2S/c1-12-9-14(10-12)23(21,22)20-7-4-13(5-8-20)16-11-19-17-15(16)3-2-6-18-17;1-12-9-14(10-12)23(20,21)19-7-4-13(5-8-19)15-11-22-16-3-2-6-18-17(15)16;1-12-10-15(11-12)20(18,19)17-8-4-14(5-9-17)13-2-6-16-7-3-13/h2-3,6,11-14H,4-5,7-10H2,1H3,(H,18,19);2-3,6,11-14H,4-5,7-10H2,1H3;2-3,6-7,12,14-15H,4-5,8-11H2,1H3.
What are the key properties of 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 962.32 g/mol, XLogP of 8.40, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158255844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).