bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane

C114H146N18O12S4 — CID 159262031

IUPACbis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane
SMILESCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccccc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccccc2)CC1.S.S
InChIInChI=1S/2C23H26N2O.2C18H23N3O2.2C16H22N4O3S.2H2S/c2*26-23(19-10-6-17(7-11-19)16-4-2-1-3-5-16)22-20(18-8-9-18)12-13-25-15-24-14-21(22)25;2*1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;2*17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19;;/h2*1-5,12-15,17-19,23,26H,6-11H2;2*6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;2*5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23);2*1H2/t2*17?,19?,23-;;;;;;/m00....../s1
InChIKeyKWQCLYKATHNIIT-CLUBRZMCSA-N
MW2088.80 g/mol
LogP17.99
Rot. Bonds22

About bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane

bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane (PubChem CID 159262031) has the molecular formula C114H146N18O12S4 and a molecular weight of 2088.80 g/mol. Its IUPAC name is bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane.

Molecular Properties

Compound Namebis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane
PubChem CID159262031
Molecular FormulaC114H146N18O12S4
Molecular Weight2088.80 g/mol
Exact Mass2087.03
IUPAC Namebis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane
SMILESCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccccc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccccc2)CC1.S.S
InChIInChI=1S/2C23H26N2O.2C18H23N3O2.2C16H22N4O3S.2H2S/c2*26-23(19-10-6-17(7-11-19)16-4-2-1-3-5-16)22-20(18-8-9-18)12-13-25-15-24-14-21(22)25;2*1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;2*17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19;;/h2*1-5,12-15,17-19,23,26H,6-11H2;2*6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;2*5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23);2*1H2/t2*17?,19?,23-;;;;;;/m00....../s1
InChIKeyKWQCLYKATHNIIT-CLUBRZMCSA-N
XLogP17.99
TPSA392.60 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002088.80
LogP ≤ 517.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane with MolForge

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Related Compounds

(1S)-2-cyclohexyl-1-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanol;(S)-cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;(1S)-2-cyclohexyl-1-(6-iodoimidazo[1,5-a]pyridin-5-yl)ethanol;(S)-cyclohexyl-(6-iodoimidazo[1,5-a]pyridin-5-yl)methanol;(1S)-2-cyclohexyl-1-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol;(S)-cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;bis(4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-ol);sulfane
CID 158445060
2-Adamantyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;(7-tert-butylimidazo[1,5-a]pyridin-8-yl)-cyclohexylmethanol;(7-chloroimidazo[1,5-a]pyridin-8-yl)-cyclohex-3-en-1-ylmethanol;(7-cyclobutylimidazo[1,5-a]pyridin-8-yl)-cyclohexylmethanol;cyclohexyl-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(oxan-4-yl)methanol;1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)prop-2-en-1-ol
CID 159465275
(7-Tert-butylimidazo[1,5-a]pyridin-8-yl)-cyclohexylmethanol;2-cyclohexyl-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol;2-cyclohexyl-1-(7-propan-2-ylimidazo[1,5-a]pyridin-8-yl)ethanol;cyclohexyl-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]methanol;cyclopentyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(oxan-4-yl)methanol
CID 161236520
2-Cyclohexyl-1-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanol;cyclohexyl-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methanol;cyclopentyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;cyclopentyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;cyclopropyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;cyclopropyl-(6-iodoimidazo[1,5-a]pyridin-5-yl)methanol;cyclopropyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol
CID 161996691
2-Cyclohexyl-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol;cyclohexyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;2-cyclohexyl-1-(7-propan-2-ylimidazo[1,5-a]pyridin-8-yl)ethanol;cyclohexyl-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]methanol;cyclopentyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(oxan-4-yl)methanol
CID 162051253
2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
CID 157261073
bis(2-cyclohexyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]ethanol);cyclohexyl-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol;bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane
CID 157444584
2-(1-Adamantyl)-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol;2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;2-bicyclo[2.2.2]octanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;2-bicyclo[2.2.2]oct-5-enyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-propan-2-ylimidazo[1,5-a]pyridin-8-yl)methanol;4-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexan-1-ol;4-[hydroxy-(7-propan-2-ylimidazo[1,5-a]pyridin-8-yl)methyl]cyclohexan-1-ol
CID 157577642
bis(2-cyclohexyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]ethanol);cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
CID 157653445
Benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol
CID 157749593
2-(1-Adamantyl)-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol;2-adamantyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;(7-tert-butylimidazo[1,5-a]pyridin-8-yl)-cyclohexylmethanol;(7-chloroimidazo[1,5-a]pyridin-8-yl)-cyclohex-3-en-1-ylmethanol;(7-cyclobutylimidazo[1,5-a]pyridin-8-yl)-cyclohexylmethanol;1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)prop-2-en-1-ol
CID 157816293
3-Bicyclo[4.1.0]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;3-bicyclo[3.1.0]hexanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;cyclohex-2-en-1-yl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;5-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]bicyclo[2.2.1]heptan-2-ol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol
CID 157840910

Frequently Asked Questions

What is the IUPAC name of bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane?
The IUPAC name of bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane (CID 159262031) is bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane.
What is the SMILES notation for bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane?
The canonical SMILES for bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane is CC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccccc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccccc2)CC1.S.S.
What is the InChIKey of bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane?
The InChIKey is KWQCLYKATHNIIT-CLUBRZMCSA-N. The full InChI is InChI=1S/2C23H26N2O.2C18H23N3O2.2C16H22N4O3S.2H2S/c2*26-23(19-10-6-17(7-11-19)16-4-2-1-3-5-16)22-20(18-8-9-18)12-13-25-15-24-14-21(22)25;2*1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;2*17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19;;/h2*1-5,12-15,17-19,23,26H,6-11H2;2*6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;2*5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23);2*1H2/t2*17?,19?,23-;;;;;;/m00....../s1.
What are the key properties of bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane?
bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane has a molecular weight of 2088.80 g/mol, XLogP of 17.99, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide);bis(1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone);bis((S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)methanol);sulfane is sourced from PubChem (CID 159262031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).