1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone

C14H19N5O — CID 119415537

IUPAC1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCCNCC3)cc12
InChIInChI=1S/C14H19N5O/c1-10-12-8-11(9-16-13(12)18(2)17-10)14(20)19-6-3-4-15-5-7-19/h8-9,15H,3-7H2,1-2H3
InChIKeyJGCKUNBHQLZOAI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.71
Rot. Bonds1

About 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone

1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 119415537) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID119415537
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCCNCC3)cc12
InChIInChI=1S/C14H19N5O/c1-10-12-8-11(9-16-13(12)18(2)17-10)14(20)19-6-3-4-15-5-7-19/h8-9,15H,3-7H2,1-2H3
InChIKeyJGCKUNBHQLZOAI-UHFFFAOYSA-N
XLogP0.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone (CID 119415537) is 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone is Cc1nn(C)c2ncc(C(=O)N3CCCNCC3)cc12.
What is the InChIKey of 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is JGCKUNBHQLZOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-12-8-11(9-16-13(12)18(2)17-10)14(20)19-6-3-4-15-5-7-19/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 119415537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).