5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide

C20H24N8O2 — CID 90192094

IUPAC5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1
InChIInChI=1S/C20H24N8O2/c29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19/h4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30)/t14-/m0/s1
InChIKeyILDOVQXCAMOBDO-AWEZNQCLSA-N
MW408.47 g/mol
LogP0.49
Rot. Bonds4

About 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide

5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 90192094) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID90192094
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1
InChIInChI=1S/C20H24N8O2/c29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19/h4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30)/t14-/m0/s1
InChIKeyILDOVQXCAMOBDO-AWEZNQCLSA-N
XLogP0.49
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide (CID 90192094) is 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is ILDOVQXCAMOBDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N8O2/c29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19/h4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30)/t14-/m0/s1.
What are the key properties of 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 90192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).