methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate

C13H22N4O2 — CID 58662429

IUPACmethyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate
SMILESCOC(=O)N1c2c(c(C)nn2C)C(N(C)C)CC1C
InChIInChI=1S/C13H22N4O2/c1-8-7-10(15(3)4)11-9(2)14-16(5)12(11)17(8)13(18)19-6/h8,10H,7H2,1-6H3
InChIKeyDLBLEGBYPUZWHD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.70
Rot. Bonds1

About methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate

methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate (PubChem CID 58662429) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate
PubChem CID58662429
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate
SMILESCOC(=O)N1c2c(c(C)nn2C)C(N(C)C)CC1C
InChIInChI=1S/C13H22N4O2/c1-8-7-10(15(3)4)11-9(2)14-16(5)12(11)17(8)13(18)19-6/h8,10H,7H2,1-6H3
InChIKeyDLBLEGBYPUZWHD-UHFFFAOYSA-N
XLogP1.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
The IUPAC name of methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate (CID 58662429) is methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate is COC(=O)N1c2c(c(C)nn2C)C(N(C)C)CC1C.
What is the InChIKey of methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
The InChIKey is DLBLEGBYPUZWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-7-10(15(3)4)11-9(2)14-16(5)12(11)17(8)13(18)19-6/h8,10H,7H2,1-6H3.
What are the key properties of methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-1,3,6-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate is sourced from PubChem (CID 58662429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).