[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C30H32N8O2S — CID 23113287

IUPAC[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N5CCC(c6c[nH]c7ccccc67)CC5)cs4)CC3)c(C)n2n1
InChIInChI=1S/C30H32N8O2S/c1-18-15-26-33-34-27(19(2)38(26)35-18)30(40)37-13-9-21(10-14-37)28-32-25(17-41-28)29(39)36-11-7-20(8-12-36)23-16-31-24-6-4-3-5-22(23)24/h3-6,15-17,20-21,31H,7-14H2,1-2H3
InChIKeyXLWHQTLLGOCDPP-UHFFFAOYSA-N
MW568.71 g/mol
LogP4.72
Rot. Bonds4

About [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 23113287) has the molecular formula C30H32N8O2S and a molecular weight of 568.71 g/mol. Its IUPAC name is [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID23113287
Molecular FormulaC30H32N8O2S
Molecular Weight568.71 g/mol
Exact Mass568.24
IUPAC Name[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N5CCC(c6c[nH]c7ccccc67)CC5)cs4)CC3)c(C)n2n1
InChIInChI=1S/C30H32N8O2S/c1-18-15-26-33-34-27(19(2)38(26)35-18)30(40)37-13-9-21(10-14-37)28-32-25(17-41-28)29(39)36-11-7-20(8-12-36)23-16-31-24-6-4-3-5-22(23)24/h3-6,15-17,20-21,31H,7-14H2,1-2H3
InChIKeyXLWHQTLLGOCDPP-UHFFFAOYSA-N
XLogP4.72
TPSA112.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 23113287) is [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N5CCC(c6c[nH]c7ccccc67)CC5)cs4)CC3)c(C)n2n1.
What is the InChIKey of [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is XLWHQTLLGOCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2S/c1-18-15-26-33-34-27(19(2)38(26)35-18)30(40)37-13-9-21(10-14-37)28-32-25(17-41-28)29(39)36-11-7-20(8-12-36)23-16-31-24-6-4-3-5-22(23)24/h3-6,15-17,20-21,31H,7-14H2,1-2H3.
What are the key properties of [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 568.71 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 23113287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).