4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C23H28N8O2S — CID 69178777

IUPAC4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2n(n1)CCN(Cc1cccs1)C2=O
InChIInChI=1S/C23H28N8O2S/c1-17(15-28-7-9-29(10-8-28)23-24-5-3-6-25-23)26-21(32)19-14-20-22(33)30(11-12-31(20)27-19)16-18-4-2-13-34-18/h2-6,13-14,17H,7-12,15-16H2,1H3,(H,26,32)
InChIKeyAGYVIUITXIZGRD-UHFFFAOYSA-N
MW480.60 g/mol
LogP1.33
Rot. Bonds7

About 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 69178777) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID69178777
Molecular FormulaC23H28N8O2S
Molecular Weight480.60 g/mol
Exact Mass480.21
IUPAC Name4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2n(n1)CCN(Cc1cccs1)C2=O
InChIInChI=1S/C23H28N8O2S/c1-17(15-28-7-9-29(10-8-28)23-24-5-3-6-25-23)26-21(32)19-14-20-22(33)30(11-12-31(20)27-19)16-18-4-2-13-34-18/h2-6,13-14,17H,7-12,15-16H2,1H3,(H,26,32)
InChIKeyAGYVIUITXIZGRD-UHFFFAOYSA-N
XLogP1.33
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 69178777) is 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2n(n1)CCN(Cc1cccs1)C2=O.
What is the InChIKey of 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is AGYVIUITXIZGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-17(15-28-7-9-29(10-8-28)23-24-5-3-6-25-23)26-21(32)19-14-20-22(33)30(11-12-31(20)27-19)16-18-4-2-13-34-18/h2-6,13-14,17H,7-12,15-16H2,1H3,(H,26,32).
What are the key properties of 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 480.60 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 69178777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).