2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C21H26N6O2S — CID 123290321

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccn2ccnc(N3CCC(NC(=O)c4csc(N5CCC(O)CC5)n4)C3)c12
InChIInChI=1S/C21H26N6O2S/c1-14-2-7-25-11-6-22-19(18(14)25)27-8-3-15(12-27)23-20(29)17-13-30-21(24-17)26-9-4-16(28)5-10-26/h2,6-7,11,13,15-16,28H,3-5,8-10,12H2,1H3,(H,23,29)
InChIKeyGZNIUVUDCWZALD-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 123290321) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID123290321
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccn2ccnc(N3CCC(NC(=O)c4csc(N5CCC(O)CC5)n4)C3)c12
InChIInChI=1S/C21H26N6O2S/c1-14-2-7-25-11-6-22-19(18(14)25)27-8-3-15(12-27)23-20(29)17-13-30-21(24-17)26-9-4-16(28)5-10-26/h2,6-7,11,13,15-16,28H,3-5,8-10,12H2,1H3,(H,23,29)
InChIKeyGZNIUVUDCWZALD-UHFFFAOYSA-N
XLogP2.07
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 123290321) is 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is Cc1ccn2ccnc(N3CCC(NC(=O)c4csc(N5CCC(O)CC5)n4)C3)c12.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GZNIUVUDCWZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-14-2-7-25-11-6-22-19(18(14)25)27-8-3-15(12-27)23-20(29)17-13-30-21(24-17)26-9-4-16(28)5-10-26/h2,6-7,11,13,15-16,28H,3-5,8-10,12H2,1H3,(H,23,29).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 426.55 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123290321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).