1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone

C13H17N5O — CID 118316977

IUPAC1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
SMILESCCn1ncc2c(NN=C(C)C)c(C(C)=O)cnc21
InChIInChI=1S/C13H17N5O/c1-5-18-13-11(7-15-18)12(17-16-8(2)3)10(6-14-13)9(4)19/h6-7H,5H2,1-4H3,(H,14,17)
InChIKeyQQROUZRITUHDPN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds4

About 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone

1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone (PubChem CID 118316977) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
PubChem CID118316977
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
SMILESCCn1ncc2c(NN=C(C)C)c(C(C)=O)cnc21
InChIInChI=1S/C13H17N5O/c1-5-18-13-11(7-15-18)12(17-16-8(2)3)10(6-14-13)9(4)19/h6-7H,5H2,1-4H3,(H,14,17)
InChIKeyQQROUZRITUHDPN-UHFFFAOYSA-N
XLogP2.46
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone (CID 118316977) is 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone is CCn1ncc2c(NN=C(C)C)c(C(C)=O)cnc21.
What is the InChIKey of 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
The InChIKey is QQROUZRITUHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-5-18-13-11(7-15-18)12(17-16-8(2)3)10(6-14-13)9(4)19/h6-7H,5H2,1-4H3,(H,14,17).
What are the key properties of 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 118316977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).