1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one

C8H7N5O — CID 177218146

IUPAC1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one
SMILESO=C1NCN1c1nccc2[nH]cnc12
InChIInChI=1S/C8H7N5O/c14-8-12-4-13(8)7-6-5(1-2-9-7)10-3-11-6/h1-3H,4H2,(H,10,11)(H,12,14)
InChIKeyPCCOBGFTFWTCKB-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.44
Rot. Bonds1

About 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one

1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one (PubChem CID 177218146) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one
PubChem CID177218146
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one
SMILESO=C1NCN1c1nccc2[nH]cnc12
InChIInChI=1S/C8H7N5O/c14-8-12-4-13(8)7-6-5(1-2-9-7)10-3-11-6/h1-3H,4H2,(H,10,11)(H,12,14)
InChIKeyPCCOBGFTFWTCKB-UHFFFAOYSA-N
XLogP0.44
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one?
The IUPAC name of 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one (CID 177218146) is 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one.
What is the SMILES notation for 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one?
The canonical SMILES for 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one is O=C1NCN1c1nccc2[nH]cnc12.
What is the InChIKey of 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one?
The InChIKey is PCCOBGFTFWTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c14-8-12-4-13(8)7-6-5(1-2-9-7)10-3-11-6/h1-3H,4H2,(H,10,11)(H,12,14).
What are the key properties of 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one?
1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one has a molecular weight of 189.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one is sourced from PubChem (CID 177218146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).