6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine

C19H24N6O2S — CID 97407527

IUPAC6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
SMILESCn1cc(-c2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc3c2ncn3C)cn1
InChIInChI=1S/C19H24N6O2S/c1-23-12-20-19-17(23)9-16(22-18(19)14-10-21-24(2)11-14)13-5-7-25(8-6-13)28(26,27)15-3-4-15/h9-13,15H,3-8H2,1-2H3
InChIKeySHANZSRYLTZYGK-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.04
Rot. Bonds4

About 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine

6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine (PubChem CID 97407527) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
PubChem CID97407527
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
SMILESCn1cc(-c2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc3c2ncn3C)cn1
InChIInChI=1S/C19H24N6O2S/c1-23-12-20-19-17(23)9-16(22-18(19)14-10-21-24(2)11-14)13-5-7-25(8-6-13)28(26,27)15-3-4-15/h9-13,15H,3-8H2,1-2H3
InChIKeySHANZSRYLTZYGK-UHFFFAOYSA-N
XLogP2.04
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine (CID 97407527) is 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine is Cn1cc(-c2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc3c2ncn3C)cn1.
What is the InChIKey of 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is SHANZSRYLTZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-23-12-20-19-17(23)9-16(22-18(19)14-10-21-24(2)11-14)13-5-7-25(8-6-13)28(26,27)15-3-4-15/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 400.51 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 97407527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).