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

C23H29N5O3 — CID 170288722

IUPAC1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC1C[C@H](Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1C(=O)C1CCC1
InChIInChI=1S/C23H29N5O3/c1-15-11-16(5-8-26(15)22(30)18-3-2-4-18)12-17-6-10-28-19(13-17)20(14-24-28)27-9-7-21(29)25-23(27)31/h6,10,13-16,18H,2-5,7-9,11-12H2,1H3,(H,25,29,31)/t15?,16-/m1/s1
InChIKeyQEEAJFTYKOBFNC-OEMAIJDKSA-N
MW423.52 g/mol
LogP2.75
Rot. Bonds4

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

1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170288722) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID170288722
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC1C[C@H](Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1C(=O)C1CCC1
InChIInChI=1S/C23H29N5O3/c1-15-11-16(5-8-26(15)22(30)18-3-2-4-18)12-17-6-10-28-19(13-17)20(14-24-28)27-9-7-21(29)25-23(27)31/h6,10,13-16,18H,2-5,7-9,11-12H2,1H3,(H,25,29,31)/t15?,16-/m1/s1
InChIKeyQEEAJFTYKOBFNC-OEMAIJDKSA-N
XLogP2.75
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 170288722) is 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-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-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is CC1C[C@H](Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1C(=O)C1CCC1.
What is the InChIKey of 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QEEAJFTYKOBFNC-OEMAIJDKSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-11-16(5-8-26(15)22(30)18-3-2-4-18)12-17-6-10-28-19(13-17)20(14-24-28)27-9-7-21(29)25-23(27)31/h6,10,13-16,18H,2-5,7-9,11-12H2,1H3,(H,25,29,31)/t15?,16-/m1/s1.
What are the key properties of 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 423.52 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(4R)-1-(cyclobutanecarbonyl)-2-methylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170288722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).