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

C25H38N6O2 — CID 165128572

IUPAC1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCCCC(CCC)CN1CCN(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CC1C
InChIInChI=1S/C25H38N6O2/c1-4-6-20(7-5-2)18-29-13-12-28(16-19(29)3)17-21-8-11-31-22(14-21)23(15-26-31)30-10-9-24(32)27-25(30)33/h8,11,14-15,19-20H,4-7,9-10,12-13,16-18H2,1-3H3,(H,27,32,33)
InChIKeyRAHRBWVNVHHSRD-UHFFFAOYSA-N
MW454.62 g/mol
LogP3.50
Rot. Bonds9

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

1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128572) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID165128572
Molecular FormulaC25H38N6O2
Molecular Weight454.62 g/mol
Exact Mass454.31
IUPAC Name1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCCCC(CCC)CN1CCN(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CC1C
InChIInChI=1S/C25H38N6O2/c1-4-6-20(7-5-2)18-29-13-12-28(16-19(29)3)17-21-8-11-31-22(14-21)23(15-26-31)30-10-9-24(32)27-25(30)33/h8,11,14-15,19-20H,4-7,9-10,12-13,16-18H2,1-3H3,(H,27,32,33)
InChIKeyRAHRBWVNVHHSRD-UHFFFAOYSA-N
XLogP3.50
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128572) is 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is CCCC(CCC)CN1CCN(Cc2ccn3ncc(N4CCC(=O)NC4=O)c3c2)CC1C.
What is the InChIKey of 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is RAHRBWVNVHHSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2/c1-4-6-20(7-5-2)18-29-13-12-28(16-19(29)3)17-21-8-11-31-22(14-21)23(15-26-31)30-10-9-24(32)27-25(30)33/h8,11,14-15,19-20H,4-7,9-10,12-13,16-18H2,1-3H3,(H,27,32,33).
What are the key properties of 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 454.62 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).