[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid

C17H22N4O5S — CID 134328717

IUPAC[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C17H22N4O5S/c22-16(12-2-1-6-21(9-12)27(25,26)19-17(23)24)15-13(11-3-4-11)5-7-20-10-18-8-14(15)20/h5,7-8,10-12,16,19,22H,1-4,6,9H2,(H,23,24)
InChIKeyDYXSAKHJWHCJNX-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.47
Rot. Bonds5

About [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid

[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid (PubChem CID 134328717) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid
PubChem CID134328717
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C17H22N4O5S/c22-16(12-2-1-6-21(9-12)27(25,26)19-17(23)24)15-13(11-3-4-11)5-7-20-10-18-8-14(15)20/h5,7-8,10-12,16,19,22H,1-4,6,9H2,(H,23,24)
InChIKeyDYXSAKHJWHCJNX-UHFFFAOYSA-N
XLogP1.47
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid?
The IUPAC name of [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid (CID 134328717) is [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid.
What is the SMILES notation for [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid?
The canonical SMILES for [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid is O=C(O)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]piperidin-1-yl]sulfonylcarbamic acid?
The InChIKey is DYXSAKHJWHCJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c22-16(12-2-1-6-21(9-12)27(25,26)19-17(23)24)15-13(11-3-4-11)5-7-20-10-18-8-14(15)20/h5,7-8,10-12,16,19,22H,1-4,6,9H2,(H,23,24).
What are the key properties of [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid?
[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid has a molecular weight of 394.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamic acid is sourced from PubChem (CID 134328717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).