1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C21H27N5O3 — CID 165128597

IUPAC1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnn3ccc(CC4CCN(CC5COC5)CC4)cc23)C(=O)N1
InChIInChI=1S/C21H27N5O3/c27-20-4-7-25(21(28)23-20)19-11-22-26-8-3-16(10-18(19)26)9-15-1-5-24(6-2-15)12-17-13-29-14-17/h3,8,10-11,15,17H,1-2,4-7,9,12-14H2,(H,23,27,28)
InChIKeyIDGXWOUWXDVTAB-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.68
Rot. Bonds5

About 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128597) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID165128597
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnn3ccc(CC4CCN(CC5COC5)CC4)cc23)C(=O)N1
InChIInChI=1S/C21H27N5O3/c27-20-4-7-25(21(28)23-20)19-11-22-26-8-3-16(10-18(19)26)9-15-1-5-24(6-2-15)12-17-13-29-14-17/h3,8,10-11,15,17H,1-2,4-7,9,12-14H2,(H,23,27,28)
InChIKeyIDGXWOUWXDVTAB-UHFFFAOYSA-N
XLogP1.68
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128597) is 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cnn3ccc(CC4CCN(CC5COC5)CC4)cc23)C(=O)N1.
What is the InChIKey of 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IDGXWOUWXDVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-20-4-7-25(21(28)23-20)19-11-22-26-8-3-16(10-18(19)26)9-15-1-5-24(6-2-15)12-17-13-29-14-17/h3,8,10-11,15,17H,1-2,4-7,9,12-14H2,(H,23,27,28).
What are the key properties of 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 397.48 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(oxetan-3-ylmethyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).