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

C18H20N6O3 — CID 118621072

IUPAC9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)N1CCn2c(CNc3nccc4[nH]ncc34)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H20N6O3/c1-10(2)23-5-6-24-11(7-14(25)16(26)15(24)18(23)27)8-20-17-12-9-21-22-13(12)3-4-19-17/h3-4,7,9-10,26H,5-6,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWGDKQNZLYWDSRI-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.30
Rot. Bonds4

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

9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 118621072) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID118621072
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)N1CCn2c(CNc3nccc4[nH]ncc34)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H20N6O3/c1-10(2)23-5-6-24-11(7-14(25)16(26)15(24)18(23)27)8-20-17-12-9-21-22-13(12)3-4-19-17/h3-4,7,9-10,26H,5-6,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWGDKQNZLYWDSRI-UHFFFAOYSA-N
XLogP1.30
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 118621072) is 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)N1CCn2c(CNc3nccc4[nH]ncc34)cc(=O)c(O)c2C1=O.
What is the InChIKey of 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is WGDKQNZLYWDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-10(2)23-5-6-24-11(7-14(25)16(26)15(24)18(23)27)8-20-17-12-9-21-22-13(12)3-4-19-17/h3-4,7,9-10,26H,5-6,8H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 368.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-propan-2-yl-6-[(1H-pyrazolo[4,5-c]pyridin-4-ylamino)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 118621072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).