1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C20H26N6O2 — CID 165128528

IUPAC1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnn3ccc(CN4CCN5CCCC[C@H]5C4)cc23)C(=O)N1
InChIInChI=1S/C20H26N6O2/c27-19-5-7-25(20(28)22-19)18-12-21-26-8-4-15(11-17(18)26)13-23-9-10-24-6-2-1-3-16(24)14-23/h4,8,11-12,16H,1-3,5-7,9-10,13-14H2,(H,22,27,28)/t16-/m0/s1
InChIKeyOLDFPHCUXNWREE-INIZCTEOSA-N
MW382.47 g/mol
LogP1.45
Rot. Bonds3

About 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128528) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID165128528
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnn3ccc(CN4CCN5CCCC[C@H]5C4)cc23)C(=O)N1
InChIInChI=1S/C20H26N6O2/c27-19-5-7-25(20(28)22-19)18-12-21-26-8-4-15(11-17(18)26)13-23-9-10-24-6-2-1-3-16(24)14-23/h4,8,11-12,16H,1-3,5-7,9-10,13-14H2,(H,22,27,28)/t16-/m0/s1
InChIKeyOLDFPHCUXNWREE-INIZCTEOSA-N
XLogP1.45
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128528) is 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cnn3ccc(CN4CCN5CCCC[C@H]5C4)cc23)C(=O)N1.
What is the InChIKey of 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is OLDFPHCUXNWREE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-19-5-7-25(20(28)22-19)18-12-21-26-8-4-15(11-17(18)26)13-23-9-10-24-6-2-1-3-16(24)14-23/h4,8,11-12,16H,1-3,5-7,9-10,13-14H2,(H,22,27,28)/t16-/m0/s1.
What are the key properties of 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 382.47 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).