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

C18H23N5O2 — CID 165128309

IUPAC1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESC[C@H]1C[C@H](Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1
InChIInChI=1S/C18H23N5O2/c1-12-8-13(2-5-19-12)9-14-3-7-23-15(10-14)16(11-20-23)22-6-4-17(24)21-18(22)25/h3,7,10-13,19H,2,4-6,8-9H2,1H3,(H,21,24,25)/t12-,13+/m0/s1
InChIKeyJBEUWYVMSNILSU-QWHCGFSZSA-N
MW341.42 g/mol
LogP1.71
Rot. Bonds3

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

1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128309) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID165128309
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESC[C@H]1C[C@H](Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1
InChIInChI=1S/C18H23N5O2/c1-12-8-13(2-5-19-12)9-14-3-7-23-15(10-14)16(11-20-23)22-6-4-17(24)21-18(22)25/h3,7,10-13,19H,2,4-6,8-9H2,1H3,(H,21,24,25)/t12-,13+/m0/s1
InChIKeyJBEUWYVMSNILSU-QWHCGFSZSA-N
XLogP1.71
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128309) is 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is C[C@H]1C[C@H](Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1.
What is the InChIKey of 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is JBEUWYVMSNILSU-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-8-13(2-5-19-12)9-14-3-7-23-15(10-14)16(11-20-23)22-6-4-17(24)21-18(22)25/h3,7,10-13,19H,2,4-6,8-9H2,1H3,(H,21,24,25)/t12-,13+/m0/s1.
What are the key properties of 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 341.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2S,4R)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).