9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C20H25N7O3 — CID 118621098

IUPAC9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)N1CCn2c(CNCCNc3nccc4[nH]ncc34)cc(=O)c(O)c2C1=O
InChIInChI=1S/C20H25N7O3/c1-12(2)26-7-8-27-13(9-16(28)18(29)17(27)20(26)30)10-21-5-6-23-19-14-11-24-25-15(14)3-4-22-19/h3-4,9,11-12,21,29H,5-8,10H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGRFSBTXFTFOGOK-UHFFFAOYSA-N
MW411.47 g/mol
LogP0.89
Rot. Bonds7

About 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 118621098) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID118621098
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)N1CCn2c(CNCCNc3nccc4[nH]ncc34)cc(=O)c(O)c2C1=O
InChIInChI=1S/C20H25N7O3/c1-12(2)26-7-8-27-13(9-16(28)18(29)17(27)20(26)30)10-21-5-6-23-19-14-11-24-25-15(14)3-4-22-19/h3-4,9,11-12,21,29H,5-8,10H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGRFSBTXFTFOGOK-UHFFFAOYSA-N
XLogP0.89
TPSA128.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 118621098) is 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)N1CCn2c(CNCCNc3nccc4[nH]ncc34)cc(=O)c(O)c2C1=O.
What is the InChIKey of 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is GRFSBTXFTFOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-12(2)26-7-8-27-13(9-16(28)18(29)17(27)20(26)30)10-21-5-6-23-19-14-11-24-25-15(14)3-4-22-19/h3-4,9,11-12,21,29H,5-8,10H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 411.47 g/mol, XLogP of 0.89, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 118621098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).