2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide

C24H29N9O2S — CID 5152043

IUPAC2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCCc5cn[nH]c5C)cs4)CC3)c(C)n2n1
InChIInChI=1S/C24H29N9O2S/c1-14-11-20-29-30-21(16(3)33(20)31-14)24(35)32-9-6-17(7-10-32)23-27-19(13-36-23)22(34)25-8-4-5-18-12-26-28-15(18)2/h11-13,17H,4-10H2,1-3H3,(H,25,34)(H,26,28)
InChIKeyOGIGFCJTBLFPSQ-UHFFFAOYSA-N
MW507.62 g/mol
LogP2.61
Rot. Bonds7

About 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 5152043) has the molecular formula C24H29N9O2S and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID5152043
Molecular FormulaC24H29N9O2S
Molecular Weight507.62 g/mol
Exact Mass507.22
IUPAC Name2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCCc5cn[nH]c5C)cs4)CC3)c(C)n2n1
InChIInChI=1S/C24H29N9O2S/c1-14-11-20-29-30-21(16(3)33(20)31-14)24(35)32-9-6-17(7-10-32)23-27-19(13-36-23)22(34)25-8-4-5-18-12-26-28-15(18)2/h11-13,17H,4-10H2,1-3H3,(H,25,34)(H,26,28)
InChIKeyOGIGFCJTBLFPSQ-UHFFFAOYSA-N
XLogP2.61
TPSA134.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide (CID 5152043) is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCCc5cn[nH]c5C)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]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OGIGFCJTBLFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2S/c1-14-11-20-29-30-21(16(3)33(20)31-14)24(35)32-9-6-17(7-10-32)23-27-19(13-36-23)22(34)25-8-4-5-18-12-26-28-15(18)2/h11-13,17H,4-10H2,1-3H3,(H,25,34)(H,26,28).
What are the key properties of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5152043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).