N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine

C19H16FN5 — CID 137032217

IUPACN-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine
SMILESC=C1C/C(=N\c2ccc3ncn(C4CCc5ccc(F)cc54)c3n2)N1
InChIInChI=1S/C19H16FN5/c1-11-8-18(22-11)23-17-7-5-15-19(24-17)25(10-21-15)16-6-3-12-2-4-13(20)9-14(12)16/h2,4-5,7,9-10,16H,1,3,6,8H2,(H,22,23,24)
InChIKeyIVWHPZNPIMJQLD-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.64
Rot. Bonds2

About N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine

N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine (PubChem CID 137032217) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine.

Molecular Properties

Compound NameN-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine
PubChem CID137032217
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC NameN-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine
SMILESC=C1C/C(=N\c2ccc3ncn(C4CCc5ccc(F)cc54)c3n2)N1
InChIInChI=1S/C19H16FN5/c1-11-8-18(22-11)23-17-7-5-15-19(24-17)25(10-21-15)16-6-3-12-2-4-13(20)9-14(12)16/h2,4-5,7,9-10,16H,1,3,6,8H2,(H,22,23,24)
InChIKeyIVWHPZNPIMJQLD-UHFFFAOYSA-N
XLogP3.64
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine?
The IUPAC name of N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine (CID 137032217) is N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine.
What is the SMILES notation for N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine?
The canonical SMILES for N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine is C=C1C/C(=N\c2ccc3ncn(C4CCc5ccc(F)cc54)c3n2)N1.
What is the InChIKey of N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine?
The InChIKey is IVWHPZNPIMJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c1-11-8-18(22-11)23-17-7-5-15-19(24-17)25(10-21-15)16-6-3-12-2-4-13(20)9-14(12)16/h2,4-5,7,9-10,16H,1,3,6,8H2,(H,22,23,24).
What are the key properties of N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine?
N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine has a molecular weight of 333.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine is sourced from PubChem (CID 137032217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).