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

C16H22N4O3S — CID 122609313

IUPAC3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C16H22N4O3S/c17-24(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/h5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)
InChIKeyADUWHTPSWSUMHX-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.16
Rot. Bonds4

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 122609313) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 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 CID122609313
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C16H22N4O3S/c17-24(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/h5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)
InChIKeyADUWHTPSWSUMHX-UHFFFAOYSA-N
XLogP1.16
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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 122609313) 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.
What is the InChIKey of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide?
The InChIKey is ADUWHTPSWSUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c17-24(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/h5,7-8,10-12,16,21H,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 350.44 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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 122609313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).