4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one

C23H21ClFN7O — CID 118024160

IUPAC4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(-c2nccc3c2n(C)c(=O)n3-c2ccncc2F)nc2nc(Cl)ccc21
InChIInChI=1S/C23H21ClFN7O/c1-13(2)8-11-31-17-4-5-18(24)28-21(17)29-22(31)19-20-16(7-10-27-19)32(23(33)30(20)3)15-6-9-26-12-14(15)25/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyGHWMIFZASRTEPI-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.37
Rot. Bonds5

About 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one

4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 118024160) has the molecular formula C23H21ClFN7O and a molecular weight of 465.92 g/mol. Its IUPAC name is 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID118024160
Molecular FormulaC23H21ClFN7O
Molecular Weight465.92 g/mol
Exact Mass465.15
IUPAC Name4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(-c2nccc3c2n(C)c(=O)n3-c2ccncc2F)nc2nc(Cl)ccc21
InChIInChI=1S/C23H21ClFN7O/c1-13(2)8-11-31-17-4-5-18(24)28-21(17)29-22(31)19-20-16(7-10-27-19)32(23(33)30(20)3)15-6-9-26-12-14(15)25/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyGHWMIFZASRTEPI-UHFFFAOYSA-N
XLogP4.37
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one (CID 118024160) is 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(-c2nccc3c2n(C)c(=O)n3-c2ccncc2F)nc2nc(Cl)ccc21.
What is the InChIKey of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is GHWMIFZASRTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O/c1-13(2)8-11-31-17-4-5-18(24)28-21(17)29-22(31)19-20-16(7-10-27-19)32(23(33)30(20)3)15-6-9-26-12-14(15)25/h4-7,9-10,12-13H,8,11H2,1-3H3.
What are the key properties of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one?
4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 465.92 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(3-fluoro-4-pyridinyl)-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118024160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).