1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one

C15H19N5O2 — CID 56821249

IUPAC1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
SMILESCc1nc2c(cc1C(=O)N1CCNC(=O)CC1)c(C)nn2C
InChIInChI=1S/C15H19N5O2/c1-9-12(8-11-10(2)18-19(3)14(11)17-9)15(22)20-6-4-13(21)16-5-7-20/h8H,4-7H2,1-3H3,(H,16,21)
InChIKeyFMRASGXCEOLUQZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.55
Rot. Bonds1

About 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one

1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one (PubChem CID 56821249) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
PubChem CID56821249
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
SMILESCc1nc2c(cc1C(=O)N1CCNC(=O)CC1)c(C)nn2C
InChIInChI=1S/C15H19N5O2/c1-9-12(8-11-10(2)18-19(3)14(11)17-9)15(22)20-6-4-13(21)16-5-7-20/h8H,4-7H2,1-3H3,(H,16,21)
InChIKeyFMRASGXCEOLUQZ-UHFFFAOYSA-N
XLogP0.55
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one (CID 56821249) is 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one is Cc1nc2c(cc1C(=O)N1CCNC(=O)CC1)c(C)nn2C.
What is the InChIKey of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
The InChIKey is FMRASGXCEOLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-12(8-11-10(2)18-19(3)14(11)17-9)15(22)20-6-4-13(21)16-5-7-20/h8H,4-7H2,1-3H3,(H,16,21).
What are the key properties of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one has a molecular weight of 301.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56821249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).