2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

C21H18FN5OS — CID 75202836

IUPAC2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(c2nccn3cccc23)C1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5OS/c22-15-5-3-14(4-6-15)21-25-17(13-29-21)20(28)24-16-7-10-27(12-16)19-18-2-1-9-26(18)11-8-23-19/h1-6,8-9,11,13,16H,7,10,12H2,(H,24,28)
InChIKeyHBQHIFQSUWNITH-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 75202836) has the molecular formula C21H18FN5OS and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID75202836
Molecular FormulaC21H18FN5OS
Molecular Weight407.47 g/mol
Exact Mass407.12
IUPAC Name2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(c2nccn3cccc23)C1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5OS/c22-15-5-3-14(4-6-15)21-25-17(13-29-21)20(28)24-16-7-10-27(12-16)19-18-2-1-9-26(18)11-8-23-19/h1-6,8-9,11,13,16H,7,10,12H2,(H,24,28)
InChIKeyHBQHIFQSUWNITH-UHFFFAOYSA-N
XLogP3.61
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (CID 75202836) is 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCN(c2nccn3cccc23)C1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HBQHIFQSUWNITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5OS/c22-15-5-3-14(4-6-15)21-25-17(13-29-21)20(28)24-16-7-10-27(12-16)19-18-2-1-9-26(18)11-8-23-19/h1-6,8-9,11,13,16H,7,10,12H2,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75202836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).