4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide

C18H18N8OS — CID 119104870

IUPAC4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C18H18N8OS/c1-12-14(28-18(21-12)24-6-2-3-7-24)17(27)22-13-4-8-25(10-13)15-16-23-20-11-26(16)9-5-19-15/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,22,27)
InChIKeyYVSGGJABENEWNP-UHFFFAOYSA-N
MW394.46 g/mol
LogP1.69
Rot. Bonds4

About 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 119104870) has the molecular formula C18H18N8OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID119104870
Molecular FormulaC18H18N8OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC Name4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C18H18N8OS/c1-12-14(28-18(21-12)24-6-2-3-7-24)17(27)22-13-4-8-25(10-13)15-16-23-20-11-26(16)9-5-19-15/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,22,27)
InChIKeyYVSGGJABENEWNP-UHFFFAOYSA-N
XLogP1.69
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide (CID 119104870) is 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2nccn3cnnc23)C1.
What is the InChIKey of 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YVSGGJABENEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8OS/c1-12-14(28-18(21-12)24-6-2-3-7-24)17(27)22-13-4-8-25(10-13)15-16-23-20-11-26(16)9-5-19-15/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,22,27).
What are the key properties of 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrol-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).