(2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione

C30H32N2O5 — CID 146167187

IUPAC(2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione
SMILESO=C1CCC(=O)N2[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CN12
InChIInChI=1S/C30H32N2O5/c33-28-16-17-29(34)32-26(22-35-19-23-10-4-1-5-11-23)30(37-21-25-14-8-3-9-15-25)27(18-31(28)32)36-20-24-12-6-2-7-13-24/h1-15,26-27,30H,16-22H2/t26-,27-,30-/m1/s1
InChIKeyNDUDRIMLIWUDEE-YCVRVPNXSA-N
MW500.60 g/mol
LogP4.12
Rot. Bonds10

About (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione

(2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione (PubChem CID 146167187) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione.

Molecular Properties

Compound Name(2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione
PubChem CID146167187
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Name(2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione
SMILESO=C1CCC(=O)N2[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CN12
InChIInChI=1S/C30H32N2O5/c33-28-16-17-29(34)32-26(22-35-19-23-10-4-1-5-11-23)30(37-21-25-14-8-3-9-15-25)27(18-31(28)32)36-20-24-12-6-2-7-13-24/h1-15,26-27,30H,16-22H2/t26-,27-,30-/m1/s1
InChIKeyNDUDRIMLIWUDEE-YCVRVPNXSA-N
XLogP4.12
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione?
The IUPAC name of (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione (CID 146167187) is (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione.
What is the SMILES notation for (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione?
The canonical SMILES for (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione is O=C1CCC(=O)N2[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CN12.
What is the InChIKey of (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione?
The InChIKey is NDUDRIMLIWUDEE-YCVRVPNXSA-N. The full InChI is InChI=1S/C30H32N2O5/c33-28-16-17-29(34)32-26(22-35-19-23-10-4-1-5-11-23)30(37-21-25-14-8-3-9-15-25)27(18-31(28)32)36-20-24-12-6-2-7-13-24/h1-15,26-27,30H,16-22H2/t26-,27-,30-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione?
(2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione has a molecular weight of 500.60 g/mol, XLogP of 4.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1,2,3,4,7,8-hexahydropyridazino[1,2-a]pyridazine-6,9-dione is sourced from PubChem (CID 146167187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).