5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C20H29N9O2S — CID 156725651

IUPAC5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCC1CCN(c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc3nc(N)nn23)CC1
InChIInChI=1S/C20H29N9O2S/c1-14-3-7-26(8-4-14)20-23-17(11-18-24-19(21)25-29(18)20)15-12-22-28(13-15)16-5-9-27(10-6-16)32(2,30)31/h11-14,16H,3-10H2,1-2H3,(H2,21,25)
InChIKeyFEZDLLLJMXOVSH-UHFFFAOYSA-N
MW459.58 g/mol
LogP1.40
Rot. Bonds4

About 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 156725651) has the molecular formula C20H29N9O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID156725651
Molecular FormulaC20H29N9O2S
Molecular Weight459.58 g/mol
Exact Mass459.22
IUPAC Name5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCC1CCN(c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc3nc(N)nn23)CC1
InChIInChI=1S/C20H29N9O2S/c1-14-3-7-26(8-4-14)20-23-17(11-18-24-19(21)25-29(18)20)15-12-22-28(13-15)16-5-9-27(10-6-16)32(2,30)31/h11-14,16H,3-10H2,1-2H3,(H2,21,25)
InChIKeyFEZDLLLJMXOVSH-UHFFFAOYSA-N
XLogP1.40
TPSA127.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 156725651) is 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is CC1CCN(c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc3nc(N)nn23)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is FEZDLLLJMXOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N9O2S/c1-14-3-7-26(8-4-14)20-23-17(11-18-24-19(21)25-29(18)20)15-12-22-28(13-15)16-5-9-27(10-6-16)32(2,30)31/h11-14,16H,3-10H2,1-2H3,(H2,21,25).
What are the key properties of 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 459.58 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-7-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 156725651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).