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

C19H29N5O2 — CID 171480157

IUPAC7-[(2S,5R)-5-ethyl-2-methylpiperazin-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](C)CN1
InChIInChI=1S/C19H29N5O2/c1-4-14-11-23(13(2)10-20-14)15-9-17(25)22(3)16-12-24(21-19(15)16)18-7-5-6-8-26-18/h9,12-14,18,20H,4-8,10-11H2,1-3H3/t13-,14+,18?/m0/s1
InChIKeyQWSYJCRUVXTDSS-BWLUYJDISA-N
MW359.47 g/mol
LogP2.01
Rot. Bonds3

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

7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171480157) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID171480157
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name7-[(2S,5R)-5-ethyl-2-methylpiperazin-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](C)CN1
InChIInChI=1S/C19H29N5O2/c1-4-14-11-23(13(2)10-20-14)15-9-17(25)22(3)16-12-24(21-19(15)16)18-7-5-6-8-26-18/h9,12-14,18,20H,4-8,10-11H2,1-3H3/t13-,14+,18?/m0/s1
InChIKeyQWSYJCRUVXTDSS-BWLUYJDISA-N
XLogP2.01
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2R,5R)-5-(difluoromethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
CID 171480013
7-[(2R,5R)-2-(difluoromethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480233
2-(7-((2S,5R)-2,5-dimethyl-4-(1-(tetrahydro-2H-pyran-4-yl)ethyl)piperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridin-2-yl)acetonitrile
CID 172637059
7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479917
7-[(2S,5R)-2-(2-methoxyethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479919
tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
CID 171479940
7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479963
7-[(2S,5R)-2-(2-hydroxyethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479972
tert-butyl (2R,5R)-5-(hydroxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
CID 171480027
4-Methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480047
2-but-2-ynyl-7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methylpyrazolo[4,3-b]pyridin-5-one
CID 171480052
7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480081

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171480157) is 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 7-[(2S,5R)-5-ethyl-2-methylpiperazin-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](C)CN1.
What is the InChIKey of 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is QWSYJCRUVXTDSS-BWLUYJDISA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-14-11-23(13(2)10-20-14)15-9-17(25)22(3)16-12-24(21-19(15)16)18-7-5-6-8-26-18/h9,12-14,18,20H,4-8,10-11H2,1-3H3/t13-,14+,18?/m0/s1.
What are the key properties of 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 359.47 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171480157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).