3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide

C32H44N8O6S2 — CID 159294980

IUPAC3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/2C16H22N4O3S/c2*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*5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)
InChIKeyLAPDXLNKECMMRX-UHFFFAOYSA-N
MW700.89 g/mol
LogP2.32
Rot. Bonds8

About 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide

3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide (PubChem CID 159294980) has the molecular formula C32H44N8O6S2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide
PubChem CID159294980
Molecular FormulaC32H44N8O6S2
Molecular Weight700.89 g/mol
Exact Mass700.28
IUPAC Name3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/2C16H22N4O3S/c2*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*5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)
InChIKeyLAPDXLNKECMMRX-UHFFFAOYSA-N
XLogP2.32
TPSA201.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.89
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol
CID 134381102
(7-Cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol
CID 134381176
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol
CID 134381207
(7-Cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(8-fluoroisoquinolin-5-yl)piperidin-4-yl]methanol
CID 134381274
(7-Cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(3,4-difluorophenyl)piperidin-4-yl]methanol
CID 134381379
(7-Cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
CID 134381628
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
CID 134381761
(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
CID 134381764
(7-Cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol
CID 134382007
(7-Cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol
CID 142308232
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]methanol
CID 158338826
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanol
CID 159289966

Frequently Asked Questions

What is the IUPAC name of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide (CID 159294980) is 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.
What is the InChIKey of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide?
The InChIKey is LAPDXLNKECMMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H22N4O3S/c2*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*5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23).
What are the key properties of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide?
3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide has a molecular weight of 700.89 g/mol, XLogP of 2.32, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 159294980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).