4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide

C21H29N9O — CID 118466930

IUPAC4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC1
InChIInChI=1S/C21H29N9O/c1-22-21(31)28-9-7-17(8-10-28)29-12-16(11-24-29)26-19-20-23-14-25-30(20)13-18(27-19)15-5-3-2-4-6-15/h11-15,17H,2-10H2,1H3,(H,22,31)(H,26,27)
InChIKeyREWUKVSLTRXIRY-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.09
Rot. Bonds4

About 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide

4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 118466930) has the molecular formula C21H29N9O and a molecular weight of 423.53 g/mol. Its IUPAC name is 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide
PubChem CID118466930
Molecular FormulaC21H29N9O
Molecular Weight423.53 g/mol
Exact Mass423.25
IUPAC Name4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC1
InChIInChI=1S/C21H29N9O/c1-22-21(31)28-9-7-17(8-10-28)29-12-16(11-24-29)26-19-20-23-14-25-30(20)13-18(27-19)15-5-3-2-4-6-15/h11-15,17H,2-10H2,1H3,(H,22,31)(H,26,27)
InChIKeyREWUKVSLTRXIRY-UHFFFAOYSA-N
XLogP3.09
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide (CID 118466930) is 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC1.
What is the InChIKey of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is REWUKVSLTRXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9O/c1-22-21(31)28-9-7-17(8-10-28)29-12-16(11-24-29)26-19-20-23-14-25-30(20)13-18(27-19)15-5-3-2-4-6-15/h11-15,17H,2-10H2,1H3,(H,22,31)(H,26,27).
What are the key properties of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?
4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 118466930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).