7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

C20H31N5O2 — CID 171479917

IUPAC7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCC[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CC)CN1
InChIInChI=1S/C20H31N5O2/c1-4-14-12-24(15(5-2)11-21-14)16-10-18(26)23(3)17-13-25(22-20(16)17)19-8-6-7-9-27-19/h10,13-15,19,21H,4-9,11-12H2,1-3H3/t14-,15+,19?/m1/s1
InChIKeyNJVWHKPUXRQOFN-DALSXFDMSA-N
MW373.50 g/mol
LogP2.40
Rot. Bonds4

About 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171479917) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID171479917
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCC[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CC)CN1
InChIInChI=1S/C20H31N5O2/c1-4-14-12-24(15(5-2)11-21-14)16-10-18(26)23(3)17-13-25(22-20(16)17)19-8-6-7-9-27-19/h10,13-15,19,21H,4-9,11-12H2,1-3H3/t14-,15+,19?/m1/s1
InChIKeyNJVWHKPUXRQOFN-DALSXFDMSA-N
XLogP2.40
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171479917) is 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is CC[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CC)CN1.
What is the InChIKey of 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is NJVWHKPUXRQOFN-DALSXFDMSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-4-14-12-24(15(5-2)11-21-14)16-10-18(26)23(3)17-13-25(22-20(16)17)19-8-6-7-9-27-19/h10,13-15,19,21H,4-9,11-12H2,1-3H3/t14-,15+,19?/m1/s1.
What are the key properties of 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 373.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171479917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).