1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C17H22N6O2 — CID 165128383

IUPAC1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESC[C@H]1CN(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1
InChIInChI=1S/C17H22N6O2/c1-12-10-21(7-4-18-12)11-13-2-6-23-14(8-13)15(9-19-23)22-5-3-16(24)20-17(22)25/h2,6,8-9,12,18H,3-5,7,10-11H2,1H3,(H,20,24,25)/t12-/m0/s1
InChIKeyOJRHBWMCISRTGS-LBPRGKRZSA-N
MW342.40 g/mol
LogP0.57
Rot. Bonds3

About 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128383) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID165128383
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESC[C@H]1CN(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1
InChIInChI=1S/C17H22N6O2/c1-12-10-21(7-4-18-12)11-13-2-6-23-14(8-13)15(9-19-23)22-5-3-16(24)20-17(22)25/h2,6,8-9,12,18H,3-5,7,10-11H2,1H3,(H,20,24,25)/t12-/m0/s1
InChIKeyOJRHBWMCISRTGS-LBPRGKRZSA-N
XLogP0.57
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128383) is 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is C[C@H]1CN(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1.
What is the InChIKey of 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is OJRHBWMCISRTGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-10-21(7-4-18-12)11-13-2-6-23-14(8-13)15(9-19-23)22-5-3-16(24)20-17(22)25/h2,6,8-9,12,18H,3-5,7,10-11H2,1H3,(H,20,24,25)/t12-/m0/s1.
What are the key properties of 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).