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

C26H37N5O2 — CID 171577385

IUPAC1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CC(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1CC1CCCCC1
InChIInChI=1S/C26H37N5O2/c1-26(2)16-21(8-11-29(26)18-19-6-4-3-5-7-19)14-20-9-13-31-22(15-20)23(17-27-31)30-12-10-24(32)28-25(30)33/h9,13,15,17,19,21H,3-8,10-12,14,16,18H2,1-2H3,(H,28,32,33)
InChIKeyWQQWRPWVLWIOJR-UHFFFAOYSA-N
MW451.62 g/mol
LogP4.39
Rot. Bonds5

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

1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171577385) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171577385
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CC(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1CC1CCCCC1
InChIInChI=1S/C26H37N5O2/c1-26(2)16-21(8-11-29(26)18-19-6-4-3-5-7-19)14-20-9-13-31-22(15-20)23(17-27-31)30-12-10-24(32)28-25(30)33/h9,13,15,17,19,21H,3-8,10-12,14,16,18H2,1-2H3,(H,28,32,33)
InChIKeyWQQWRPWVLWIOJR-UHFFFAOYSA-N
XLogP4.39
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 171577385) is 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-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-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is CC1(C)CC(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CCN1CC1CCCCC1.
What is the InChIKey of 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WQQWRPWVLWIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-26(2)16-21(8-11-29(26)18-19-6-4-3-5-7-19)14-20-9-13-31-22(15-20)23(17-27-31)30-12-10-24(32)28-25(30)33/h9,13,15,17,19,21H,3-8,10-12,14,16,18H2,1-2H3,(H,28,32,33).
What are the key properties of 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 451.62 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(cyclohexylmethyl)-2,2-dimethylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171577385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).