N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C24H27N9O2S — CID 3685354

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)Nc5cc(C6CC6)nn5C)cs4)CC3)c(C)n2n1
InChIInChI=1S/C24H27N9O2S/c1-13-10-20-27-28-21(14(2)33(20)29-13)24(35)32-8-6-16(7-9-32)23-25-18(12-36-23)22(34)26-19-11-17(15-4-5-15)30-31(19)3/h10-12,15-16H,4-9H2,1-3H3,(H,26,34)
InChIKeyMIUOPNIBAUAUAH-UHFFFAOYSA-N
MW505.61 g/mol
LogP3.08
Rot. Bonds5

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3685354) has the molecular formula C24H27N9O2S and a molecular weight of 505.61 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID3685354
Molecular FormulaC24H27N9O2S
Molecular Weight505.61 g/mol
Exact Mass505.20
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)Nc5cc(C6CC6)nn5C)cs4)CC3)c(C)n2n1
InChIInChI=1S/C24H27N9O2S/c1-13-10-20-27-28-21(14(2)33(20)29-13)24(35)32-8-6-16(7-9-32)23-25-18(12-36-23)22(34)26-19-11-17(15-4-5-15)30-31(19)3/h10-12,15-16H,4-9H2,1-3H3,(H,26,34)
InChIKeyMIUOPNIBAUAUAH-UHFFFAOYSA-N
XLogP3.08
TPSA123.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.61
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3685354) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)Nc5cc(C6CC6)nn5C)cs4)CC3)c(C)n2n1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is MIUOPNIBAUAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O2S/c1-13-10-20-27-28-21(14(2)33(20)29-13)24(35)32-8-6-16(7-9-32)23-25-18(12-36-23)22(34)26-19-11-17(15-4-5-15)30-31(19)3/h10-12,15-16H,4-9H2,1-3H3,(H,26,34).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 505.61 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3685354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).